SCHEMBL7707957

SCHEMBL7707957

CCC(=O)c1ccc(C)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
TSHR P16473 2/20 0.38
CHRNA7 P36544 1/20 0.38
PGR P06401 1/20 0.35
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 3/20 0.33
PTGS1 P23219 2/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CXCL8 P10145 1/20 0.33
AKR1B1 P15121 1/20 0.33
PTGS2 P35354 1/20 0.33
GLO1 Q04760 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 2/20 0.32

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
SCHEMBL10784324 0.82 ALDH1A1 (0.40) NAMPTMAPTL3MBTL1SMN1; SMN2HPGD
SCHEMBL9336190 0.78 NAMPT (0.45) NAMPTMAPTL3MBTL1SMN1; SMN2HPGD
SCHEMBL8002346 0.76 HPGD (0.50) TSHRMAPTSMN1; SMN2HPGDHTT
SCHEMBL1663159 0.76 NAMPT (0.44) NAMPTMAPTL3MBTL1SMN1; SMN2HPGD
SCHEMBL19903800 0.73 HPGD (0.39) CHRNB2CHRNA4TSHRCHRNA7PGR
SCHEMBL11992345 0.72 MAPT (0.40) TSHRCHRNA7PGRMAPTL3MBTL1
SCHEMBL7706728 0.71 NAMPT (0.41) NAMPTMAPTL3MBTL1HPGDPTGS1
SCHEMBL12748885 0.71 NPC1 (0.47) NAMPTTSHRL3MBTL1SMN1; SMN2MAPK1
SCHEMBL13851546 0.71 NAMPT (0.41) NAMPTPGRMAPTL3MBTL1HPGD
SCHEMBL25457958 0.68 LMNA (0.35) CHRNB2CHRNA4TSHRCHRNA7PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504680-B2 Pyrrole derivatives as alpha 7 nAChR modulators LUPIN LIMITED (IN) 2016-11-29 US disclosed
US-9504680-B2 Pyrrole derivatives as alpha 7 nAChR modulators LUPIN LIMITED (IN) 2016-11-29 US disclosed
US-9504680-B2 Pyrrole derivatives as alpha 7 nAChR modulators LUPIN LIMITED (IN) 2016-11-29 US disclosed
US-20160137600-A1 Pyrrole Derivatives as Alpha 7 nAChR Modulators LUPIN LIMITED (IN) 2016-05-19 US disclosed
US-20160137600-A1 Pyrrole Derivatives as Alpha 7 nAChR Modulators LUPIN LIMITED (IN) 2016-05-19 US disclosed
US-20160137600-A1 Pyrrole Derivatives as Alpha 7 nAChR Modulators LUPIN LIMITED (IN) 2016-05-19 US disclosed
WO-2014203150-A1 PYRROLE DERIVATIVES AS ALPHA 7 NACHR MODULATORS LUPIN LIMITED (IN) 2014-12-24 WO disclosed
US-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 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 (1 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-20160137600-A1 Pyrrole Derivatives as Alpha 7 nAChR Modulators CHRM1, CHRNA7, CHRM2 NAMPT 2446/4885CHRNB2 21/4885CHRNA4 12/4885

“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.