SCHEMBL4284243

SCHEMBL4284243

CCc1cc(C(N)=O)ccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
AR P10275 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
KIF11 P52732 3/20 0.41
NOTUM Q6P988 1/20 0.41
MAPK1 P28482 1/20 0.41
PARP10 Q53GL7 1/20 0.40
MAOA P21397 1/20 0.39
ERN1 O75460 1/20 0.39
CYP2C9 P11712 2/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SRD5A2 P31213 1/20 0.38

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
SCHEMBL13617388 0.86 MAOB (0.46) MAOBARSLC6A2SLC6A4AKR1C3
SCHEMBL27933685 0.82 MAOB (0.53) MAOBSLC6A2SLC6A4AKR1C3AKR1C2
SCHEMBL2709797 0.80 AR (0.45) MAOBARKIF11NOTUMERN1
SCHEMBL28772839 0.79 MAOB (0.41) MAOBARSLC6A2SLC6A4AKR1C3
SCHEMBL171490 0.79 AR (0.45) MAOBARAKR1C3AKR1C2KIF11
Hydrochloric Acid SCHEMBL27741712 0.78 AR (0.44) MAOBARKIF11NOTUMERN1
SCHEMBL14235937 0.77 PARP1 (0.50) SLC6A2SLC6A4MAPK1PARP10KMT2A
SCHEMBL16380712 0.77 MAOB (0.47) MAOBARSLC6A2SLC6A4ERN1
SCHEMBL14235584 0.77 HSP90AA1 (0.44) SLC6A2SLC6A4MAPK1PARP10CYP2C9
SCHEMBL1031838 0.77 KIF11 (0.56) MAOBARKIF11ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2020-03-10 US disclosed
US-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2018-07-26 US disclosed
US-9878991-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2018-01-30 US disclosed
US-20160355499-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2016-12-08 US disclosed
US-9365563-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2016-06-14 US disclosed
EP-2604598-B1 TRPV1 antagonists and uses thereof PURDUE PHARMA LP (US) 2016-04-06 EP disclosed
US-8889690-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2014-11-18 US disclosed
EP-2142529-B1 TRPV1 ANTAGONISTS AND USES THEREOF PURDUE PHARMA LP (US) 2013-12-25 EP disclosed
US-20130338170-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. (US) 2013-12-19 US disclosed
US-8575199-B2 Formula (IA″) compounds comprising (piperidin-4-yl)pyridine or (1,2,3,6-tetrahydropyridin-4-4yl) as TRPV1 antagonists PURDUE PHARMA L.P. (US) 2013-11-05 US disclosed
US-8476277-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2013-07-02 US disclosed
EP-2604599-A1 TRPV1 antagonists and uses thereof Purdue Pharma LP (US) 2013-06-19 EP disclosed
EP-2604598-A1 TRPV1 antagonists and uses thereof Purdue Pharma L.P. (US) 2013-06-19 EP disclosed
US-20120177570-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. (US) 2012-07-12 US disclosed
US-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-09 US disclosed
US-20090170867-A1 TRPV1 ANTAGONISTS INCLUDING SULFONAMIDE SUBSTITUENT AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
US-20090170868-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-02 US 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 (8 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-20130338170-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MAOB 1063/4885AR 1323/4885SLC6A2 609/4885
US-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MAOB 1063/4885AR 1323/4885SLC6A2 609/4885
US-20120177570-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV2 MAOB 967/4885AR 1385/4885SLC6A2 1359/4885
US-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV2 MAOB 967/4885AR 1385/4885SLC6A2 1359/4885
US-20090170868-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MAOB 1063/4885AR 1323/4885SLC6A2 609/4885
US-20160355499-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MAOB 1063/4885AR 1323/4885SLC6A2 609/4885
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof TRPV1, TRPA1, TRPV5 MAOB 1063/4885AR 1323/4885SLC6A2 609/4885
US-20090170867-A1 TRPV1 ANTAGONISTS INCLUDING SULFONAMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MAOB 2059/4885AR 2142/4885SLC6A2 1017/4885

“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.