SCHEMBL1053602

SCHEMBL1053602

CC(C)(C)OC(=O)N1CC(C(=O)O)CC(c2ccc(CC(F)(F)F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.44
F2R P25116 2/20 0.43
TACR1 P25103 3/20 0.41
NR1H2 P55055 1/20 0.41
KDM4E B2RXH2 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
PDE4B Q07343 1/20 0.39
NAMPT P43490 1/20 0.38
LIPE Q05469 1/20 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
SCHEMBL21381940 0.89 RORC (0.48) RORCTACR1NR1H2KDM4EPDE4B
SCHEMBL640934 0.85 RORC (0.52) RORCF2RTACR1KDM4E
SCHEMBL1054892 0.85 F2R (0.44) RORCF2R
SCHEMBL3731465 0.85 RORC (0.43) RORCF2RTACR1NR1H2KDM4E
SCHEMBL156662 0.84 RORC (0.51) RORCTACR1KDM4ENAMPT
SCHEMBL643046 0.83 LIPE (0.49) RORCF2RTACR1KDM4EPDE4B
SCHEMBL3729093 0.80 F2R (0.39) F2R
SCHEMBL21381707 0.79 MGLL (0.47) RORCTACR1NR1H2KDM4EJAK2
SCHEMBL1050074 0.77 F2R (0.52) F2RTACR1
SCHEMBL1056589 0.77 F2R (0.41) RORCF2RTACR1

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-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 US disclosed
US-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 US disclosed
US-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 US disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
WO-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 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-20110021489-A1 SUBSTITUTED PIPERIDINES VHL, PIR, PIGO RORC 2189/4885F2R 1339/4885TACR1 544/4885
US-20120220563-A1 Substituted piperidines VHL, PIR, PIGO RORC 2189/4885F2R 1339/4885TACR1 544/4885

“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.