SCHEMBL640755

SCHEMBL640755

CCc1ccc(C2CC(c3nc(C(=O)Nc4ccncc4)cs3)CN(C(=O)N3CCOCC3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.54
IRAK4 Q9NWZ3 1/20 0.38
PIM1 P11309 2/20 0.38
PIM3 Q86V86 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 1/20 0.37
STAT1 P42224 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
TAAR1 Q96RJ0 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 0.86 F2R (0.56) F2RRAB9ANPC1MAPTSTAT1
SCHEMBL642092 0.83 F2R (0.56) F2RRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL642617 0.81 F2R (0.55) F2RRAB9ANPC1
SCHEMBL1580458 0.79 F2R (0.57) F2RRAB9ANPC1MAPTSTAT1
SCHEMBL642093 0.79 F2R (0.54) F2RRAB9ANPC1MAPTSTAT1
SCHEMBL642800 0.78 F2R (0.56) F2RRAB9ANPC1MAPTSTAT1
SCHEMBL10279061 0.78 F2R (0.54) F2RRAB9ANPC1MAPTSTAT1
SCHEMBL641492 0.78 F2R (0.53) F2R
SCHEMBL643202 0.74 F2R (0.53) F2R
SCHEMBL643116 0.72 F2R (0.66) F2RRAB9ANPC1MAPTSTAT1

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 698/4885IRAK4 2273/4885PIM1 2540/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885IRAK4 2273/4885PIM1 2540/4885

“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.