SCHEMBL10278945

SCHEMBL10278945

CCc1ccc(C2CC(C3=NC(CNC4CC4)CS3)CN(C(=O)N3CCOCC3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 14/20 0.58
MCHR1 Q99705 4/20 0.36
CYP2D6 P10635 2/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
STAT1 P42224 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FKBP1A P62942 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
SCHEMBL10278972 0.89 F2R (0.56) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL10278947 0.85 F2R (0.55) F2RMCHR1NPC1MAPTSTAT1
SCHEMBL10279061 0.78 F2R (0.54) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL10278685 0.78 F2R (0.55) F2R
SCHEMBL642800 0.77 F2R (0.56) F2RMCHR1NPC1MAPTSTAT1
SCHEMBL16579598 0.75 F2R (0.81) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL10279026 0.74 F2R (0.55) F2RSMN1; SMN2
SCHEMBL10279059 0.74 F2R (0.53) F2R
SCHEMBL10242063 0.74 F2R (1.00) F2RMCHR1FKBP1A
SCHEMBL485847 0.74 F2R (0.69) F2RMCHR1NPC1MAPTSTAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 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 (1 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 698/4885MCHR1 4794/4885CYP2D6 269/4885

“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.