SCHEMBL642283

SCHEMBL642283

COC(=O)C1CC(c2ccc(C)c(C)c2)CN(C(=O)N2CCOCC2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.51
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
FKBP1A P62942 1/20 0.41
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
KIF11 P52732 1/20 0.40
ALDH1A1 P00352 2/20 0.40
AKR1C3 P42330 4/20 0.39

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
SCHEMBL641690 0.89 GAA (0.50) F2RGAAMAPTSMN1; SMN2FKBP1A
SCHEMBL641502 0.88 F2R (0.47) F2RGAAMAPTTSHRATM
SCHEMBL641979 0.87 F2R (0.46) F2RMAPTSMN1; SMN2ALDH1A1
SCHEMBL642060 0.86 F2R (0.41) F2RMAPTSMN1; SMN2
SCHEMBL642069 0.86 F2R (0.45) F2RGAAMAPTTSHRATM
SCHEMBL643801 0.84 F2R (0.48) F2RMAPTSMN1; SMN2TSHRALDH1A1
SCHEMBL1580812 0.84 F2R (0.54) F2RGAAMAPTSMN1; SMN2FKBP1A
SCHEMBL640992 0.83 F2R (0.73) F2RMAPTSMN1; SMN2FKBP1ATSHR
SCHEMBL641606 0.82 F2R (0.63) F2RAKR1C3
SCHEMBL1580918 0.82 F2R (0.55) F2RGAAMAPTSMN1; SMN2FKBP1A

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 698/4885GAA 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.