SCHEMBL625124

SCHEMBL625124

CC(c1ccc(Cl)cc1)C1(C#N)CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
OPRM1 P35372 1/20 0.37
SLC6A4 P31645 10/20 0.37
SLC6A3 Q01959 9/20 0.37
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
SLC6A2 P23975 4/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR2A P28223 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL15010750 0.84 OPRM1 (0.36) OPRM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL15011397 0.83 CTSL (0.36) ALDH1A1LMNASMN1; SMN2
SCHEMBL3362836 0.82 TRPA1 (0.35) OPRM1TSHROPRK1LMNAGAA
SCHEMBL2467274 0.82 TRPA1 (0.35) OPRM1TSHROPRK1LMNAGAA
SCHEMBL624807 0.81 SLC6A2 (0.40) OPRM1SLC6A4SLC6A3ALOX15TSHR
SCHEMBL624834 0.79 PDE2A (0.37) OPRM1SLC6A4SLC6A3SLC6A2OPRK1
SCHEMBL2436694 0.74 TRPA1 (0.38) OPRM1TSHROPRK1ALDH1A1MAPT
SCHEMBL3360485 0.74 TRPA1 (0.38) OPRM1TSHROPRK1ALDH1A1MAPT
SCHEMBL624400 0.73 SLC6A2 (0.38) ADRB2OPRM1SLC6A4CYP3A4SLC6A2
SCHEMBL26028639 0.71 SLC6A4 (0.38) ADRB2OPRM1SLC6A4SLC6A3ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO 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 (1 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 ADRB2 423/4885OPRM1 121/4885SLC6A4 511/4885

“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.