SCHEMBL624834

SCHEMBL624834

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.37
KIF11 P52732 1/20 0.35
HSD11B1 P28845 3/20 0.34
SLC6A3 Q01959 3/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
DHODH Q02127 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
SCHEMBL22728384 0.87 HTR2C (0.36) PDE2AKIF11HSD11B1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL22719282 0.85 HTR2C (0.38) PDE2AKIF11HSD11B1SLC6A4SLC6A2
SCHEMBL625393 0.82 SLC6A2 (0.43) HSD11B1SLC6A3SLC6A4SLC6A2OPRM1
SCHEMBL15011397 0.82 CTSL (0.36) HSD11B1
SCHEMBL15010750 0.80 OPRM1 (0.36) HSD11B1OPRM1
SCHEMBL625124 0.79 ADRB2 (0.38) SLC6A3SLC6A4SLC6A2OPRM1OPRK1
SCHEMBL3362836 0.78 TRPA1 (0.35) OPRM1OPRL1OPRD1OPRK1
SCHEMBL22719446 0.76 MAPT (0.47)
SCHEMBL27907578 0.73 PDE2A (0.38) PDE2AHSD11B1SLC6A3SLC6A4SLC6A2
SCHEMBL27907581 0.72 TRPV3 (0.38) PDE2AHSD11B1SLC6A3SLC6A4SLC6A2

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 PDE2A 807/4885KIF11 3418/4885HSD11B1 2616/4885

“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.