SCHEMBL1023151

SCHEMBL1023151

Cc1cc2c(cc1N)CCC(=O)N2C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
ATAD2 Q6PL18 2/20 0.41
CYP11B2 P19099 9/20 0.40
CYP11B1 P15538 8/20 0.40
CYP19A1 P11511 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP17A1 P05093 1/20 0.40
BRD4 O60885 2/20 0.40
CREBBP Q92793 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CYP3A4 P08684 2/20 0.39
TRIM24 O15164 2/20 0.39
SRD5A1 P18405 2/20 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
SCHEMBL1744952 0.93 HSD17B10 (0.45) HSD17B10ATAD2CYP11B2CYP11B1CYP19A1
SCHEMBL423546 0.85 CYP11B2 (0.44) CYP11B2CYP11B1CYP19A1CYP1A2CYP17A1
SCHEMBL1744184 0.81 CYP11B2 (0.40) HSD17B10ATAD2CYP11B2CYP11B1CYP19A1
SCHEMBL30896361 0.81 CYP11B2 (0.40) HSD17B10ATAD2CYP11B2CYP11B1CYP19A1
SCHEMBL1196275 0.79 ATAD2 (0.61) HSD17B10ATAD2CYP11B2CYP11B1CYP1A2
SCHEMBL12057333 0.78 CYP11B1 (0.52) CYP11B2CYP11B1CYP19A1CYP1A2CYP17A1
SCHEMBL25387540 0.78 CYP11B1 (0.38) HSD17B10ATAD2CYP11B2CYP11B1CYP19A1
Hydrochloric Acid SCHEMBL1027568 0.78 ATAD2 (0.60) HSD17B10ATAD2CYP11B2CYP11B1CYP1A2
SCHEMBL3344498 0.77 ATAD2 (0.44) ATAD2CYP11B2CYP11B1CYP19A1CYP1A2
SCHEMBL5986162 0.76 CYP11B2 (0.42) CYP11B2CYP11B1CYP19A1CYP1A2CYP17A1

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-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US claimed
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 HSD17B10 1240/4885ATAD2 3912/4885CYP11B2 1506/4885
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 HSD17B10 4507/4885ATAD2 2666/4885CYP11B2 2591/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 HSD17B10 156/4885ATAD2 4173/4885CYP11B2 923/4885

“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.