SCHEMBL642349

SCHEMBL642349

Cc1ccc(C2CC(c3nc(C(C)C)no3)CN(C(=O)N3CCOCC3)C2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 5/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
EPHX2 P34913 1/20 0.42
POLB P06746 2/20 0.41
CNR1 P21554 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
GRM5 P41594 6/20 0.39
KIF11 P52732 1/20 0.38
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
CCR5 P51681 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL642179 0.90 EPHX2 (0.45) F2REPHX2CNR1TMEM97GRM5
SCHEMBL640564 0.90 EPHX2 (0.42) F2REPHX2CNR1TMEM97GRM5
SCHEMBL1581203 0.89 GAA (0.45) F2RGAAMAPTEPHX2POLB
SCHEMBL642000 0.88 EPHX2 (0.43) F2REPHX2CNR1TMEM97GRM5
SCHEMBL641366 0.87 F2R (0.48) F2REPHX2POLBCNR1TMEM97
SCHEMBL642840 0.84 F2R (0.54) F2REPHX2POLBCNR1TMEM97
SCHEMBL1581022 0.84 F2R (0.38) F2RGAAMAPTPOLBCNR1
SCHEMBL642183 0.82 F2R (0.61) F2REPHX2POLBCNR1TMEM97
SCHEMBL640227 0.81 F2R (0.42) F2RGAAMAPTPOLBCNR1
SCHEMBL640616 0.81 F2R (0.50) F2REPHX2POLBCNR1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885GAA 634/4885MAPT 4718/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885GAA 634/4885MAPT 4718/4885

“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.