SCHEMBL5777576

SCHEMBL5777576

CC#Cc1cnccc1NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
CYP17A1 P05093 4/20 0.42
RAB9A P51151 1/20 0.40
BRS3 P32247 1/20 0.38
METAP1 P53582 1/20 0.38
ATR Q13535 1/20 0.37
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
LATS1 O95835 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
Propyne SCHEMBL6530506 0.97 NAMPT (0.42) NAMPTCYP17A1RAB9ABRS3METAP1
SCHEMBL8313717 0.86 NAMPT (0.45) NAMPTCYP17A1RAB9ABRS3METAP1
SCHEMBL26828150 0.85 NAMPT (0.43) NAMPTCYP17A1RAB9AMETAP1LMNA
SCHEMBL21566054 0.83 KDM4E (0.40) NAMPTCYP17A1RAB9ABRS3METAP1
SCHEMBL19255631 0.81 CYP1A2 (0.46) NAMPT
SCHEMBL18522430 0.81 NAMPT (0.50) NAMPTCYP17A1RAB9ABRS3METAP1
SCHEMBL19211781 0.80 KDM4C (0.39) NAMPT
SCHEMBL2107971 0.79 NAMPT (0.48) NAMPTCYP17A1RAB9ABRS3METAP1
SCHEMBL3666785 0.79 NAMPT (0.48) NAMPTCYP17A1RAB9ABRS3METAP1
SCHEMBL5777673 0.78 NAMPT (0.45) NAMPTCYP17A1RAB9ABRS3METAP1

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-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
US-20150175599-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
EP-2655356-A1 FAAH INHIBITORS Ironwood Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
WO-2005121141-A1 PYRROLOPYRIDINE DERIVATIVES AND USE THEREOF FOR TREATING DISEASES MEDIATED BY PROSTAGLANDIN D2 (PGD2) OXAGEN LIMITED (GB) 2005-12-22 WO disclosed
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R NAMPT 3568/4885CYP17A1 51/4885RAB9A 3602/4885
US-20150175599-A1 FAAH Inhibitors FAAH, FAAH2, ASAH1 NAMPT 932/4885CYP17A1 1118/4885RAB9A 1384/4885

“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.