SCHEMBL625774

SCHEMBL625774

Cc1ccccc1C(C)C1(C#N)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
OPRM1 P35372 4/20 0.34
OPRD1 P41143 4/20 0.34
OPRK1 P41145 4/20 0.34
OPRL1 P41146 4/20 0.34
TSHR P16473 1/20 0.33
HSD11B1 P28845 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CTSL P07711 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL15011028 0.82 ALDH1A1 (0.36) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL624400 0.82 SLC6A2 (0.38) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL2467274 0.77 TRPA1 (0.35) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL3362836 0.77 TRPA1 (0.35) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL28806295 0.70 HSD11B1 (0.37) ESR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL28806297 0.70 ESR1 (0.36) ESR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL31117906 0.70 HSD11B1 (0.34) HSD11B1SLC6A2
SCHEMBL3360485 0.69 TRPA1 (0.38) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL2436694 0.69 TRPA1 (0.38) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL625124 0.68 ADRB2 (0.38) OPRM1OPRK1TSHRADRA2AADRA2B

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 ESR1 1092/4885OPRM1 121/4885OPRD1 145/4885

“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.