SCHEMBL643608

SCHEMBL643608

CCc1ccc(C2CC(c3nc(Cc4ccc(C)cc4)no3)CN(C(=O)N3CCOCC3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2R P25116 8/20 0.54
CNR1 P21554 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
POLB P06746 2/20 0.39
AKR1C3 P42330 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALOX12 P18054 1/20 0.36
ALDH1A1 P00352 2/20 0.36
FKBP1A P62942 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL641916 0.93 F2R (0.59) F2RCNR1TMEM97POLBSMN1; SMN2
SCHEMBL643133 0.92 F2R (0.53) F2RCNR1TMEM97POLBAKR1C3
SCHEMBL643831 0.92 F2R (0.53) F2RCNR1TMEM97POLBAKR1C3
SCHEMBL642050 0.91 F2R (0.51) F2RCNR1TMEM97POLBALDH1A1
SCHEMBL642199 0.86 F2R (0.54) F2RCNR1TMEM97POLBAKR1C3
SCHEMBL643013 0.86 F2R (0.51) F2RCNR1TMEM97POLBAKR1C3
SCHEMBL641768 0.85 F2R (0.57) F2RCNR1TMEM97POLBSMN1; SMN2
SCHEMBL12720272 0.84 F2R (0.54) F2RCNR1TMEM97POLBAKR1C3
SCHEMBL1581046 0.84 F2R (0.59) F2RCNR1TMEM97POLBSMN1; SMN2
SCHEMBL640313 0.83 F2R (0.47) F2RCNR1TMEM97POLBSMN1; 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 10 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

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.