SCHEMBL624807

SCHEMBL624807

CC(c1cccc(Cl)c1)C1(C#N)CCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.40
SLC6A4 P31645 8/20 0.40
SLC6A3 Q01959 10/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35

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
SCHEMBL15011535 0.82 CTSL (0.36) SLC6A2TSHROPRM1OPRD1OPRK1
SCHEMBL625124 0.81 ADRB2 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL2467274 0.80 TRPA1 (0.35) HPGDTSHROPRM1OPRD1OPRK1
SCHEMBL3362836 0.80 TRPA1 (0.35) HPGDTSHROPRM1OPRD1OPRK1
SCHEMBL625393 0.78 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL3360485 0.73 TRPA1 (0.38) ALDH1A1MAPTTSHRHSD17B10OPRM1
SCHEMBL2436694 0.73 TRPA1 (0.38) ALDH1A1MAPTTSHRHSD17B10OPRM1
SCHEMBL624400 0.72 SLC6A2 (0.38) SLC6A2SLC6A4ALDH1A1OPRM1OPRD1
SCHEMBL15011397 0.71 CTSL (0.36) ALDH1A1
SCHEMBL14991566 0.70 GAA (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT

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 SLC6A2 1774/4885SLC6A4 511/4885SLC6A3 717/4885

“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.