SCHEMBL641998

SCHEMBL641998

O=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2nc(-c3cccnc3)cs2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.51
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
HSD17B10 Q99714 1/20 0.42
AKR1C3 P42330 1/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
FAAH O00519 1/20 0.40
TACR1 P25103 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.38
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38
PLAUR Q03405 1/20 0.38
AR P10275 1/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 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
SCHEMBL642363 0.92 F2R (0.59) F2RALDH1A1RAB9AHSD17B10AKR1C3
SCHEMBL641881 0.88 F2R (0.53) F2RALDH1A1RAB9AHSD17B10AKR1C3
SCHEMBL643329 0.88 F2R (0.51) F2RALDH1A1RAB9AHSD17B10AKR1C3
SCHEMBL10234066 0.87 LMNA (0.53) F2RALDH1A1RAB9AHSD17B10AKR1C3
SCHEMBL640745 0.87 F2R (0.49) F2RALDH1A1RAB9AHSD17B10AKR1C3
SCHEMBL10234067 0.87 F2R (0.51) F2RALDH1A1RAB9AHSD17B10AKR1C3
SCHEMBL642159 0.86 F2R (0.50) F2RAKR1C3FAAHTACR1HSD11B1
SCHEMBL640725 0.86 F2R (0.56) F2RALDH1A1RAB9AHSD17B10AKR1C3
SCHEMBL641684 0.85 F2R (0.51) F2RALDH1A1RAB9AHSD17B10LMNA
SCHEMBL642774 0.84 F2R (0.53) F2RALDH1A1LMNAHTTSMN1; SMN2

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 12 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
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
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
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 698/4885ALDH1A1 609/4885RAB9A 1335/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885ALDH1A1 609/4885RAB9A 1335/4885

“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.