SCHEMBL961972

SCHEMBL961972

Cc1ccc2c(ccn2-c2c(C=O)c(C)nn2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
MAPT P10636 1/20 0.40
MAOB P27338 1/20 0.38
CYP2A6 P11509 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HSP90AA1 P07900 1/20 0.33
THRB P10828 1/20 0.33
FABP4 P15090 2/20 0.33
TSHR P16473 1/20 0.32
PDE2A O00408 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
LMNA P02545 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
SCHEMBL963702 0.87 SMN1; SMN2 (0.45) RXFP1MAPTCYP2A6SMN1; SMN2HTT
SCHEMBL962714 0.87 ALDH1A1 (0.38) MAPTMAOBCYP2A6SMN1; SMN2HTT
SCHEMBL967587 0.85 ROCK1 (0.44) ROCK1MAPTMAOBSMN1; SMN2CYP1A2
SCHEMBL963644 0.84 CDC7 (0.43)
SCHEMBL965856 0.84 HTT (0.40) ROCK1MAPTSMN1; SMN2HTTCYP1A2
SCHEMBL962255 0.83 ALDH1A1 (0.48) ROCK1RXFP1MAPTMAOBSMN1; SMN2
SCHEMBL962254 0.83 ALDH1A1 (0.48) ROCK1RXFP1MAPTMAOBSMN1; SMN2
SCHEMBL965187 0.83 HTR2A (0.35) CYP2A6SMN1; SMN2HTTCYP1A2CYP2C9
SCHEMBL965576 0.81 CDC7 (0.39) MAPTCYP2A6SMN1; SMN2
SCHEMBL962734 0.80 ROCK1 (0.34) ROCK1RXFP1MAPTMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 ROCK1 2974/4885RXFP1 1351/4885MAPT 4343/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ROCK1 3736/4885RXFP1 207/4885MAPT 4720/4885

“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.