SCHEMBL2319912

SCHEMBL2319912

CC1(C)CC(=O)c2cccc(C(F)(F)F)c2O1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CES1 P23141 1/20 0.40
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOB P27338 5/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TRPM8 Q7Z2W7 3/20 0.36
NOTUM Q6P988 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
METAP1 P53582 1/20 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
SCHEMBL2320590 0.81 CNR1 (0.40) KMT2AMAPTKDM4EALDH1A1CES1
SCHEMBL2319012 0.81 ALDH1A1 (0.42) KMT2AMAPTKDM4EALDH1A1TP53
SCHEMBL2321465 0.80 MAOB (0.45) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL2314915 0.78 TRPM8 (0.39) KMT2AMAPTKDM4EALDH1A1TP53
SCHEMBL19682380 0.76 KDM4E (0.43) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31111205 0.76 KDM4E (0.43) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12686317 0.74 CNR2 (0.44) KMT2AMAPTKDM4EALDH1A1TP53
SCHEMBL1508423 0.72 PARP1 (0.50) KMT2ACES1MEN1NOTUMMETAP1
SCHEMBL20889275 0.72 CHRM2 (0.41) KMT2AMAPTKDM4EALDH1A1CES1
SCHEMBL2321373 0.70 ALDH1A1 (0.46) KMT2AMAPTKDM4EALDH1A1TP53

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 12 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
CN-101827585-A Solid dispersion product containing N-aryl ureido compound ABBOTT GMBH & CO KG 2010-09-08 CN 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-2010045401-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO disclosed
WO-2010045402-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 KMT2A 4113/4885MAPT 1697/4885KDM4E 3931/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 KMT2A 4177/4885MAPT 1871/4885KDM4E 4032/4885
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND U2SURP, UMPS, HNRNPUL1 KMT2A 1695/4885MAPT 296/4885KDM4E 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.