SCHEMBL626533

SCHEMBL626533

O=CC1(c2ccc(C(F)(F)F)cc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.45
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
KDM1A O60341 1/20 0.42
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
HSD11B1 P28845 2/20 0.40
DAO P14920 1/20 0.39
CYP1A2 P05177 2/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
APP P05067 1/20 0.36
THRB P10828 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
PDE2A O00408 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
SCHEMBL3170202 0.96 SLC6A3 (0.49) SLC6A3MAOAMAOBKDM1ASLC6A4
SCHEMBL3516282 0.95 SLC6A3 (0.51) SLC6A3MAOAMAOBKDM1ASLC6A4
SCHEMBL12047029 0.92 MAOA (0.44) SLC6A3MAOAMAOBKDM1ASLC6A4
SCHEMBL31280555 0.87 KIF11 (0.44) SLC6A3MAOAMAOBKDM1AOPRM1
SCHEMBL14893684 0.80 SLC6A4 (0.50) SLC6A3KDM1ASLC6A4SLC6A2OPRM1
SCHEMBL12020399 0.79 LIG1 (0.41) SLC6A3MAOAMAOBSLC6A4SLC6A2
SCHEMBL20876294 0.78 SLC6A3 (0.49) SLC6A3MAOAMAOBKDM1ASLC6A4
SCHEMBL15863543 0.78 SLC6A4 (0.37) SLC6A3SLC6A4SLC6A2CES2
SCHEMBL625374 0.77 SLC6A4 (0.47) SLC6A3SLC6A4SLC6A2HSD11B1PIM1
SCHEMBL15070051 0.76 LMNA (0.37) SLC6A3SLC6A4SLC6A2HSD11B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 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
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN disclosed
US-20130131036-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-23 US disclosed
WO-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO 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 (2 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-20130131036-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 SLC6A3 553/4885MAOA 4251/4885MAOB 3886/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 SLC6A3 717/4885MAOA 4354/4885MAOB 4067/4885

“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.