SCHEMBL2317705

SCHEMBL2317705

CC1(C)CC(=O)c2ccc(OC(F)(F)F)cc2O1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.59
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 4/20 0.57
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 2/20 0.53
PDE4B Q07343 1/20 0.53
LMNA P02545 1/20 0.50
CRHBP P24387 1/20 0.50
HTT P42858 1/20 0.50
CRHR2 Q13324 1/20 0.50
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL12479190 0.90 ALDH1A1 (0.52) MAOBALDH1A1KDM4ENPC1RAB9A
SCHEMBL12478603 0.86 MAOB (0.49) MAOBALDH1A1KDM4ENPC1RAB9A
SCHEMBL224979 0.82 MAOB (0.64) MAOBALDH1A1KDM4ENPC1RAB9A
SCHEMBL31260255 0.82 MAOB (0.64) MAOBALDH1A1KDM4ENPC1RAB9A
SCHEMBL2319826 0.81 ALDH1A1 (0.49) MAOBALDH1A1KDM4ENPC1RAB9A
SCHEMBL12478280 0.79 KDM4E (0.49) MAOBALDH1A1KDM4ENPC1RAB9A
SCHEMBL9825262 0.78 MAOB (0.67) MAOBALDH1A1KDM4ENPC1RAB9A
SCHEMBL30953811 0.78 ALDH1A1 (0.61) MAOBALDH1A1KDM4ENPC1RAB9A
SCHEMBL1451122 0.78 ALDH1A1 (0.61) MAOBALDH1A1KDM4ENPC1RAB9A
SCHEMBL12479055 0.77 MAOB (0.78) MAOBALDH1A1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US disclosed
US-8604053-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-10 US disclosed
EP-2352726-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
EP-2352727-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
EP-2197426-A2 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND Abbott GmbH & Co. KG (DE) 2010-06-23 EP disclosed
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 US disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
WO-2010045402-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO disclosed
WO-2010045401-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO disclosed
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND ABBOTT GMBH & CO. KG (DE) 2009-06-04 US disclosed
WO-2009050289-A2 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND ABBOTT GMBH & CO. KG (DE) 2009-04-23 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 (3 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-20100137360-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 MAOB 1327/4885ALDH1A1 1287/4885KDM4E 3931/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 MAOB 1382/4885ALDH1A1 1284/4885KDM4E 4032/4885
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND U2SURP, UMPS, HNRNPUL1 MAOB 207/4885ALDH1A1 1109/4885KDM4E 1079/4885

“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.