SCHEMBL641319

SCHEMBL641319

O=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2noc([C@@H]3CCCN3C(=O)O)n2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.51
CNR1 P21554 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
POLB P06746 1/20 0.41
AKR1C3 P42330 1/20 0.40
DPP4 P27487 3/20 0.39
PREP P48147 3/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP9 Q86TI2 3/20 0.39
DPP7 Q9UHL4 3/20 0.39
TACR1 P25103 1/20 0.39
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
SPHK2 Q9NRA0 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
SCHEMBL1580895 0.90 F2R (0.48) F2RCNR1TMEM97POLBAKR1C3
SCHEMBL12719976 0.89 F2R (0.47) F2RCNR1TMEM97POLBAKR1C3
SCHEMBL640354 0.88 F2R (0.56) F2RCNR1TMEM97POLBAKR1C3
SCHEMBL10234097 0.88 F2R (0.59) F2RCNR1TMEM97POLBAKR1C3
SCHEMBL10234104 0.87 F2R (0.56) F2RCNR1TMEM97POLBAKR1C3
SCHEMBL642168 0.85 F2R (0.60) F2RCNR1TMEM97POLBAKR1C3
SCHEMBL640453 0.85 F2R (0.49) F2RCNR1TMEM97POLBAKR1C3
SCHEMBL10234806 0.85 F2R (0.54) F2RCNR1TMEM97POLBAKR1C3
SCHEMBL1581132 0.84 F2R (0.53) F2RCNR1TMEM97POLBAKR1C3
Hydrochloric Acid SCHEMBL641920 0.83 F2R (0.52) F2RCNR1TMEM97POLBAKR1C3

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 3 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
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 698/4885CNR1 454/4885TMEM97 1110/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885CNR1 454/4885TMEM97 1110/4885

“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.