SCHEMBL642092

SCHEMBL642092

CCOC(=O)c1csc(C2CC(c3ccc(CC)cc3)CN(C(=O)N3CCOCC3)C2)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2R P25116 8/20 0.56
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP8 Q14790 1/20 0.42
RECQL P46063 1/20 0.38
FKBP1A P62942 1/20 0.37
TPH1 P17752 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CSF1R P07333 1/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL642021 0.90 F2R (0.56) F2RFKBP1ASMN1; SMN2CSF1RALDH1A1
SCHEMBL1580458 0.85 F2R (0.57) F2RFKBP1ASMN1; SMN2CSF1RALDH1A1
SCHEMBL642617 0.84 F2R (0.55) F2RFKBP1ACSF1RRAB9ANPC1
SCHEMBL640755 0.83 F2R (0.54) F2RSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL641492 0.82 F2R (0.53) F2RFKBP1ACSF1RALDH1A1
SCHEMBL642093 0.81 F2R (0.54) F2RFKBP1ASMN1; SMN2CSF1RRAB9A
SCHEMBL642800 0.80 F2R (0.56) F2RFKBP1ASMN1; SMN2CSF1RRAB9A
SCHEMBL1580829 0.80 F2R (0.53) F2RRECQLFKBP1ASMN1; SMN2CSF1R
SCHEMBL641688 0.79 F2R (0.66) F2RRECQLFKBP1AALDH1A1NPC1
SCHEMBL642041 0.78 F2R (0.48) F2R

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 698/4885CASP3 213/4885CASP7 875/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885CASP3 213/4885CASP7 875/4885

“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.