SCHEMBL640230

SCHEMBL640230

C[C@@H](c1nc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOCC3)C2)no1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.49
TACR1 P25103 3/20 0.41
CNR1 P21554 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
AKR1C3 P42330 1/20 0.39
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
LIPE Q05469 1/20 0.35
RORC P51449 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
SCHEMBL640369 0.88 F2R (0.54) F2RTACR1CNR1TMEM97AKR1C3
SCHEMBL10234791 0.87 F2R (0.53) F2RTACR1CNR1TMEM97AKR1C3
SCHEMBL1581062 0.86 F2R (0.53) F2RTACR1CNR1TMEM97AKR1C3
Hydrochloric Acid SCHEMBL642717 0.85 F2R (0.52) F2RTACR1CNR1TMEM97AKR1C3
SCHEMBL10234804 0.84 F2R (0.51) F2RTACR1CNR1TMEM97AKR1C3
SCHEMBL640323 0.83 F2R (0.53) F2RTACR1CNR1TMEM97AKR1C3
SCHEMBL641830 0.82 F2R (0.50) F2RTACR1CNR1TMEM97AKR1C3
SCHEMBL10234099 0.82 F2R (0.55) F2RTACR1CNR1TMEM97AKR1C3
SCHEMBL10233769 0.81 F2R (0.49) F2RTACR1CNR1TMEM97AKR1C3
SCHEMBL1581111 0.81 F2R (0.54) F2RTACR1CNR1TMEM97AKR1C3

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 4 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-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

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 698/4885TACR1 1493/4885CNR1 454/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885TACR1 1493/4885CNR1 454/4885

“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.