SCHEMBL2436694

SCHEMBL2436694

CC(c1ccccc1)C1(C#N)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
TSHR P16473 1/20 0.38
CYP2D6 P10635 1/20 0.36
OPRL1 P41146 4/20 0.35
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
MIF P14174 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 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
SCHEMBL3360485 1.00 TRPA1 (0.38) TRPA1TSHRCYP2D6OPRL1OPRM1
SCHEMBL3362836 0.92 TRPA1 (0.35) TRPA1TSHRCYP2D6OPRL1OPRM1
SCHEMBL2467274 0.92 TRPA1 (0.35) TRPA1TSHRCYP2D6OPRL1OPRM1
SCHEMBL22923050 0.76 TRPA1 (0.34) TRPA1TSHROPRL1OPRM1OPRD1
SCHEMBL625124 0.74 ADRB2 (0.38) TSHROPRM1OPRK1ALDH1A1MAPT
SCHEMBL15011397 0.74 CTSL (0.36) ALDH1A1
SCHEMBL624807 0.73 SLC6A2 (0.40) TSHROPRL1OPRM1OPRD1OPRK1
SCHEMBL15011535 0.73 CTSL (0.36) TSHROPRL1OPRM1OPRD1OPRK1
SCHEMBL4808868 0.72 TRPA1 (0.34) TRPA1TSHRCYP2D6OPRL1OPRM1
SCHEMBL22719169 0.71 SLC6A2 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US claimed
EP-2362765-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2020-04-08 EP disclosed
US-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US disclosed
US-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US disclosed
US-20130012422-A1 PERFUME SYSTEMS SMETS JOHAN (BE) 2013-01-10 US disclosed
US-20130012422-A1 PERFUME SYSTEMS SMETS JOHAN (BE) 2013-01-10 US disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 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 (2 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-20130012422-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 TRPA1 1/4885TSHR 4772/4885CYP2D6 871/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 TRPA1 1/4885TSHR 4772/4885CYP2D6 871/4885

“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.