SCHEMBL3180201

SCHEMBL3180201

O=C(O)[C@@H]1[C@@H](C(=O)O)CCC(=O)[C@H]1c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
NOTUM Q6P988 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAAR1 Q96RJ0 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
EDNRA P25101 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PTGS2 P35354 1/20 0.33
HSD11B1 P28845 1/20 0.33
SLC9A1 P19634 1/20 0.33
HTT P42858 1/20 0.33
SLC6A3 Q01959 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL5023130 1.00 TDP1 (0.43) TDP1NOTUMLMNASMN1; SMN2TAAR1
SCHEMBL3179826 1.00 TDP1 (0.43) TDP1NOTUMLMNASMN1; SMN2TAAR1
SCHEMBL4983554 0.77 LMNA (0.39) LMNAALDH1A1SLC6A3
SCHEMBL3477143 0.77 LMNA (0.39) LMNAALDH1A1SLC6A3
SCHEMBL5215996 0.75 SLC6A3 (0.46) TDP1LMNASMN1; SMN2KDM4ESLC6A3
SCHEMBL5220468 0.75 SLC6A3 (0.46) TDP1LMNASMN1; SMN2KDM4ESLC6A3
SCHEMBL5216002 0.75 SLC6A3 (0.46) TDP1LMNASMN1; SMN2KDM4ESLC6A3
SCHEMBL7829172 0.74 MEN1 (0.50) LMNASMN1; SMN2KMT2AMEN1EDNRA
SCHEMBL8390909 0.74 MEN1 (0.50) LMNASMN1; SMN2KMT2AMEN1EDNRA
SCHEMBL2887774 0.71 NOTUM (0.41) TDP1NOTUMLMNASMN1; SMN2TAAR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683068-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-03-23 US disclosed
US-7645790-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-01-12 US disclosed
US-20090054462-A1 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2009-02-26 US disclosed
US-20080280966-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.) 2008-11-13 US disclosed
EP-1711465-B1 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-12-26 EP disclosed
US-7217731-B2 Hydroisoindoline tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-05-15 US 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 (3 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-20090054462-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 TDP1 1675/4885NOTUM 4530/4885LMNA 3855/4885
US-20050165083-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 TDP1 1675/4885NOTUM 4530/4885LMNA 3855/4885
US-20080280966-A1 Hydroisoindoline Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 TDP1 1620/4885NOTUM 4331/4885LMNA 3749/4885

“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.