SCHEMBL643329

SCHEMBL643329

O=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2nc(-c3cccc(F)c3)cs2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2R P25116 5/20 0.51
AR P10275 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLAUR Q03405 1/20 0.41
FAAH O00519 1/20 0.40
AKR1C3 P42330 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
ALK Q9UM73 1/20 0.39
PAX8 Q06710 1/20 0.39
TACR1 P25103 1/20 0.38
KDM4E B2RXH2 1/20 0.38
UCHL1 P09936 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
RHOA P61586 1/20 0.37

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
SCHEMBL642363 0.91 F2R (0.59) F2RARLMNAHTTALDH1A1
SCHEMBL10234066 0.90 LMNA (0.53) F2RARLMNAHTTALDH1A1
SCHEMBL642166 0.90 F2R (0.46) F2RARLMNAHTTALDH1A1
SCHEMBL641684 0.89 F2R (0.51) F2RARLMNAHTTALDH1A1
SCHEMBL641998 0.88 F2R (0.51) F2RARLMNAHTTALDH1A1
SCHEMBL12720142 0.86 F2R (0.52) F2RARPLAURAKR1C3TRPM8
SCHEMBL640745 0.86 F2R (0.49) F2RLMNAHTTALDH1A1RAB9A
SCHEMBL10234067 0.86 F2R (0.51) F2RLMNAHTTALDH1A1RAB9A
SCHEMBL641881 0.85 F2R (0.53) F2RLMNAHTTALDH1A1RAB9A
SCHEMBL27819153 0.84 F2R (0.51) F2RLMNAPLAURAKR1C3TRPM8

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 9 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
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
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 698/4885AR 2600/4885LMNA 217/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885AR 2600/4885LMNA 217/4885

“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.