SCHEMBL2692015

SCHEMBL2692015

OC1(c2ncccc2F)CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKLR P30613 1/20 0.36
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MPI P34949 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2691866 0.83 KDM4E (0.36) PKLRPDE10AKDM4EALDH1A1LMNA
SCHEMBL2690052 0.83 TRPV1 (0.36) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL2691466 0.82 PKLR (0.36) PKLRPDE10AALDH1A1TRPV1LMNA
SCHEMBL2692167 0.81 PKLR (0.40) PKLRHDAC6PDE10AKDM4EL3MBTL1
SCHEMBL23231739 0.80 PDE2A (0.40) PKLRPDE10AKDM4EMPIL3MBTL1
SCHEMBL25191668 0.78 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL30408628 0.78 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL3790068 0.76 DRD2 (0.39) PKLRKDM4EMPIL3MBTL1ALDH1A1
SCHEMBL30406882 0.75 NPY5R (0.33) HDAC3HDAC1HDAC2HDAC6PDE10A
SCHEMBL25168691 0.75 NPY5R (0.33) HDAC3HDAC1HDAC2HDAC6PDE10A

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-8637576-B2 Benzamide derivatives and uses related thereto AMGEN INC. (US) 2014-01-28 US disclosed
US-8637576-B2 Benzamide derivatives and uses related thereto AMGEN INC. (US) 2014-01-28 US disclosed
EP-1904435-B1 BENZAMIDE DERIVATIVES AND USES RELATED THERETO AMGEN INC (US) 2013-01-02 EP disclosed
US-8338603-B2 TRPV1 antagonists ABBVIE INC. (US) 2012-12-25 US disclosed
US-20120108642-A1 TRPV1 ANTAGONISTS ABBVIE INC. 2012-05-03 US disclosed
US-8084616-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-12-27 US disclosed
EP-2215061-A2 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2010-08-11 EP disclosed
US-7605289-B2 Benzamide derivatives and uses related thereto AMGEN, INC. (US) 2009-10-20 US disclosed
US-7605289-B2 Benzamide derivatives and uses related thereto AMGEN, INC. (US) 2009-10-20 US disclosed
US-20090124671-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2009055629-A2 CYCLOHEXENEAMIDE DERIVATIVES AND THEIR USE AS TRPV1 ANTAGONIST ABBOTT LABORATORIES (US) 2009-04-30 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-20120108642-A1 TRPV1 ANTAGONISTS TRPV1, TRPV5, TRPV3 PKLR 2460/4885HDAC3 688/4885HDAC1 736/4885
US-20090124671-A1 TRPV1 ANTAGONISTS TRPV1, TRPV5, TRPV3 PKLR 2460/4885HDAC3 688/4885HDAC1 736/4885

“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.