SCHEMBL624400

SCHEMBL624400

CC(c1ccccc1Cl)C1(C#N)CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRL1 P41146 5/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ALDH1A1 P00352 2/20 0.35
OPRM1 P35372 4/20 0.33
HSD11B1 P28845 4/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
NISCH Q9Y2I1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
PNMT P11086 1/20 0.33
CCR1 P32246 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
CTSL P07711 1/20 0.32

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
SCHEMBL625774 0.82 ESR1 (0.36) SLC6A2SLC6A4OPRL1ALDH1A1OPRM1
SCHEMBL15011028 0.81 ALDH1A1 (0.36) OPRL1ALDH1A1OPRM1HSD11B1OPRD1
SCHEMBL2467274 0.76 TRPA1 (0.35) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL3362836 0.76 TRPA1 (0.35) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL31521346 0.73 OPRL1 (0.39) SLC6A2SLC6A4OPRL1ADRB2ADRB1
SCHEMBL625124 0.73 ADRB2 (0.38) SLC6A2SLC6A4ADRB2ALDH1A1OPRM1
SCHEMBL31117906 0.72 HSD11B1 (0.34) SLC6A2HSD11B1
SCHEMBL624807 0.72 SLC6A2 (0.40) SLC6A2SLC6A4OPRL1ALDH1A1OPRM1
SCHEMBL15011535 0.69 CTSL (0.36) SLC6A2OPRL1OPRM1OPRD1OPRK1
SCHEMBL2436694 0.68 TRPA1 (0.38) OPRL1ALDH1A1OPRM1OPRD1OPRK1

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 511/4885OPRL1 49/4885

“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.