SCHEMBL640228

SCHEMBL640228

CCc1ccc(C2CC(C(=O)OC)CN(C(=O)N(C)CC)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.50
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL640841 0.88 F2R (0.48) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL1580703 0.84 F2R (0.48) F2RSLC6A3NPC1MAPTSTAT1
SCHEMBL662123 0.83 F2R (0.69) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL640320 0.81 F2R (0.54) F2RSLC6A3NPC1MAPTSTAT1
SCHEMBL10188700 0.81 F2R (0.65) F2RSLC6A3SMN1; SMN2
SCHEMBL640707 0.81 F2R (0.60) F2RSLC6A3NPC1MAPTSTAT1
SCHEMBL1580717 0.81 F2R (0.50) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL1055207 0.78 F2R (0.56) F2RSLC6A3NPC1MAPTSTAT1
SCHEMBL640992 0.78 F2R (0.73) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL486225 0.78 F2R (0.63) F2RSLC6A3NPC1MAPTSTAT1

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 11 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
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 698/4885SLC6A3 3225/4885NPC1 67/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885SLC6A3 3225/4885NPC1 67/4885

“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.