SCHEMBL1399175

SCHEMBL1399175

C=CC(=O)Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
GAA P10253 2/20 0.48
CTBP2 P56545 1/20 0.47
TGM2 P21980 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
APEX1 P27695 1/20 0.44
BCL2A1 Q16548 1/20 0.44
KMT2A Q03164 2/20 0.44
EGFR P00533 2/20 0.43
ERBB2 P04626 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14889158 0.83 LMNA (0.48) SMN1; SMN2GAAKMT2AALDH1A1LMNA
SCHEMBL5319263 0.81 CA2 (0.56) CTBP2KMT2ARAB9ALMNA
SCHEMBL6451970 0.81 GAA (0.50) SMN1; SMN2GAACTBP2TDP1POLB
SCHEMBL13000434 0.79 CTBP2 (0.47) SMN1; SMN2GAACTBP2TGM2TDP1
SCHEMBL13475778 0.79 MEN1 (0.38) SMN1; SMN2TGM2KMT2AALDH1A1
Water SCHEMBL17802313 0.79 GAA (0.48) SMN1; SMN2GAACTBP2TDP1POLB
SCHEMBL669706 0.78 CES1 (0.56) GAACTBP2TGM2KMT2AALDH1A1
SCHEMBL8825675 0.78 ALDH1A1 (0.50) SMN1; SMN2GAATDP1POLBAPEX1
Ammonia Solution, Strong SCHEMBL11111905 0.77 CES1 (0.54) GAACTBP2TGM2KMT2AALDH1A1
SCHEMBL8194656 0.76 CTBP2 (0.53) SMN1; SMN2GAACTBP2TDP1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11026920-B2 Use of NK-1 receptor antagonist serlopitant in pruritus VYNE THERAPEUTICS INC. (US) 2021-06-08 US disclosed
US-20200306224-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS VYNE THERAPEUTICS INC. 2020-10-01 US disclosed
US-10702499-B2 Use of NK-1 receptor antagonists in pruritus MENLO THERAPEUTICS INC. (US) 2020-07-07 US disclosed
US-10617671-B2 Use of NK-1 receptor antagonist serlopitant in pruritus MENLO THERAPEUTICS INC. (US) 2020-04-14 US disclosed
US-20200054603-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2020-02-20 US disclosed
US-20200054604-A1 USE OF NK-1 RECEPTOR ANTAGONISTS IN PRURITUS VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2020-02-20 US disclosed
US-10278952-B2 Use of NK-1 receptor antagonists in pruritus MENLO THERAPEUTICS INC. (US) 2019-05-07 US disclosed
US-10278953-B2 Use of NK-1 receptor antagonist serlopitant in pruritus MENLO THERAPEUTICS INC. (US) 2019-05-07 US disclosed
US-20180325867-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2018-11-15 US disclosed
US-20180325866-A1 USE OF NK-1 RECEPTOR ANTAGONISTS IN PRURITUS VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2018-11-15 US disclosed
US-7217731-B2 Hydroisoindoline tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-05-15 US disclosed
US-20070015923-A1 Process for making hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2007-01-18 US disclosed
US-20070015923-A1 Process for making hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2007-01-18 US disclosed
US-20070015923-A1 Process for making hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2007-01-18 US disclosed
WO-2007008564-A1 PROCESS FOR MAKING HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-01-18 WO disclosed
WO-2007008564-A1 PROCESS FOR MAKING HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-01-18 WO disclosed
WO-2007002457-A2 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 WO disclosed
EP-1711465-A1 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2006-10-18 EP disclosed
WO-2005073191-A1 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2005-08-11 WO disclosed
US-20050165083-A1 Hydroisoindoline tachykinin receptor antagonists VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2005-07-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050165083-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 SMN1; SMN2 3498/4885GAA 1415/4885CTBP2 4492/4885
US-10702499-B2 Use of NK-1 receptor antagonists in pruritus TACR1, CYSLTR1, HRH3 SMN1; SMN2 4205/4885GAA 3047/4885CTBP2 4811/4885
US-10278952-B2 Use of NK-1 receptor antagonists in pruritus TACR1, CYSLTR1, HRH3 SMN1; SMN2 4205/4885GAA 3047/4885CTBP2 4811/4885
US-10617671-B2 Use of NK-1 receptor antagonist serlopitant in pruritus TACR1, CYSLTR1, NPSR1 SMN1; SMN2 3898/4885GAA 3198/4885CTBP2 4809/4885
US-20200054603-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS TACR1, CYSLTR1, NPSR1 SMN1; SMN2 3898/4885GAA 3198/4885CTBP2 4809/4885
US-20200054604-A1 USE OF NK-1 RECEPTOR ANTAGONISTS IN PRURITUS TACR1, CYSLTR1, HRH3 SMN1; SMN2 4205/4885GAA 3047/4885CTBP2 4811/4885
US-20200306224-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS TACR1, CYSLTR1, NPSR1 SMN1; SMN2 3898/4885GAA 3198/4885CTBP2 4809/4885
US-20180325866-A1 USE OF NK-1 RECEPTOR ANTAGONISTS IN PRURITUS TACR1, CYSLTR1, HRH3 SMN1; SMN2 4205/4885GAA 3047/4885CTBP2 4811/4885
US-20070015923-A1 Process for making hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 SMN1; SMN2 2949/4885GAA 1326/4885CTBP2 4148/4885
US-11026920-B2 Use of NK-1 receptor antagonist serlopitant in pruritus TACR1, CYSLTR1, NPSR1 SMN1; SMN2 3898/4885GAA 3198/4885CTBP2 4809/4885
US-10278953-B2 Use of NK-1 receptor antagonist serlopitant in pruritus TACR1, CYSLTR1, NPSR1 SMN1; SMN2 3898/4885GAA 3198/4885CTBP2 4809/4885
US-20180325867-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS TACR1, CYSLTR1, NPSR1 SMN1; SMN2 3898/4885GAA 3198/4885CTBP2 4809/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.