SCHEMBL1055152

SCHEMBL1055152

CCc1ccc(C2CNCC(C(=O)OC)C2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA7 P36544 1/20 0.38
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
ITGA5 P08648 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRND Q07001 1/20 0.36
CTSK P43235 2/20 0.35
CTSC P53634 2/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
Hydrochloric Acid SCHEMBL1056671 0.99 HRH3 (0.43) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1054641 0.89 HRH3 (0.39) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3724549 0.82 KCNH2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3721224 0.81 HRH3 (0.39) HRH3CHRNB2CHRNA4SLC6A3SLC6A2
SCHEMBL641311 0.81 SLC6A3 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1054714 0.81 EPHX2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3SLC6A3
Acetic Acid SCHEMBL1078253 0.80 KCNH2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL641901 0.79 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1054070 0.78 HRH3 (0.44) HRH3SLC6A3CTSKCTSCDPP4
SCHEMBL24771347 0.77 ALDH1A1 (0.55) HRH3CTSKCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102596944-B Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-26 CN disclosed
CN-104744452-A Substituted piperidines Bayer Pharma AG 2015-07-01 CN 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-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 US disclosed
CN-102596944-A Substituted piperidines BAYER SCHERING PHARMA AG 2012-07-18 CN 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

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 HRH3 1257/4885CHRNB2 4817/4885CHRNA4 4466/4885
US-20120220563-A1 Substituted piperidines VHL, PIR, PIGO HRH3 1257/4885CHRNB2 4817/4885CHRNA4 4466/4885

“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.