SCHEMBL13675571

SCHEMBL13675571

CC1CC[C@@H](C(C)C)[C@H](OC(=O)/C=C/C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.57
ALDH1A1 P00352 9/20 0.52
HPGD P15428 2/20 0.52
CYP19A1 P11511 2/20 0.51
TRPA1 O75762 2/20 0.46
TRPM8 Q7Z2W7 2/20 0.46
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL13674748 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL545429 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL13476390 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL6701412 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL13674746 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL6737565 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL13476726 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL16387737 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL14226245 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL15335366 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9486439-B2 Use of NK-1 receptor antagonist serlopitant in pruritus MENLO THERAPEUTICS INC. (US) 2016-11-08 US disclosed
US-9381188-B2 Use of NK-1 receptor antagonists in pruritus Tigercat Pharma, Inc. (US) 2016-07-05 US disclosed
US-20160143882-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.) 2016-05-26 US disclosed
US-20160038462-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.) 2016-02-11 US disclosed
US-9198898-B2 Use of NK-1 receptor antagonists in pruritus Tigercat Pharma, Inc. (US) 2015-12-01 US disclosed
US-20150057255-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.) 2015-02-26 US disclosed
US-20140378521-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.) 2014-12-25 US disclosed
US-8906951-B1 Use of NK-1 receptor antagonists in pruritus Tigercat Pharma, Inc. (US) 2014-12-09 US disclosed
US-20090270477-A1 POLYMORPHS OF A HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONIST MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
US-7544815-B2 Process for making hydroisoindoline tachykinin receptor antagonists MERCK & CO, INC. (US) 2009-06-09 US disclosed
US-20070015923-A1 Process for making hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2007-01-18 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 (9 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-20090270477-A1 POLYMORPHS OF A HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONIST TACR1, TACR2, AVPR2 EPHX1 899/4885ALDH1A1 2151/4885HPGD 475/4885
US-10278952-B2 Use of NK-1 receptor antagonists in pruritus TACR1, CYSLTR1, HRH3 EPHX1 588/4885ALDH1A1 2009/4885HPGD 1641/4885
US-20150057255-A1 USE OF NK-1 RECEPTOR ANTAGONISTS IN PRURITUS TACR1, CYSLTR1, HRH3 EPHX1 588/4885ALDH1A1 2009/4885HPGD 1641/4885
US-20160038462-A1 USE OF NK-1 RECEPTOR ANTAGONISTS IN PRURITUS TACR1, CYSLTR1, HRH3 EPHX1 588/4885ALDH1A1 2009/4885HPGD 1641/4885
US-20140378521-A1 USE OF NK-1 RECEPTOR ANTAGONISTS IN PRURITUS MRGPRX1, MRGPRX2, TACR1 EPHX1 646/4885ALDH1A1 1674/4885HPGD 1413/4885
US-20160143882-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS TACR1, CYSLTR1, NPSR1 EPHX1 672/4885ALDH1A1 2186/4885HPGD 1492/4885
US-20200054603-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS TACR1, CYSLTR1, NPSR1 EPHX1 672/4885ALDH1A1 2186/4885HPGD 1492/4885
US-20070015923-A1 Process for making hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 EPHX1 565/4885ALDH1A1 706/4885HPGD 330/4885
US-10278953-B2 Use of NK-1 receptor antagonist serlopitant in pruritus TACR1, CYSLTR1, NPSR1 EPHX1 672/4885ALDH1A1 2186/4885HPGD 1492/4885

“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.