SCHEMBL642136

SCHEMBL642136

CCc1ccc(C2CC(c3nc(-c4ccccc4C)no3)CN(C(=O)N3CCOCC3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.53
POLB P06746 2/20 0.45
THRB P10828 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRB2 P47870 1/20 0.42
HCRTR1 O43613 1/20 0.41
CNR1 P21554 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
HSD11B1 P28845 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM5 P41594 4/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL642269 0.91 F2R (0.52) F2RPOLBGABRA1GABRA3GABRB2
SCHEMBL640276 0.91 F2R (0.52) F2RPOLBHSD11B1LMNATSHR
SCHEMBL641035 0.89 F2R (0.57) F2RPOLBHSD11B1GRM5ALOX12
SCHEMBL10234515 0.88 F2R (0.50) F2RPOLBGABRA1GABRA3GABRB2
SCHEMBL641385 0.87 F2R (0.57) F2RPOLBTHRBGABRA1GABRA3
SCHEMBL640927 0.86 F2R (0.51) F2RPOLBGABRA1GABRA3GABRB2
SCHEMBL10234547 0.86 F2R (0.51) F2RPOLBGABRA1GABRA3GABRB2
SCHEMBL642195 0.85 F2R (0.53) F2RPOLBGABRA1GABRA3GABRB2
SCHEMBL642570 0.85 GRM5 (0.57) F2RGRM5
SCHEMBL12720294 0.85 F2R (0.53) F2RSMN1; 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 11 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
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP 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 698/4885POLB 1108/4885THRB 1958/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885POLB 1108/4885THRB 1958/4885

“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.