SCHEMBL3793030

SCHEMBL3793030

CCc1ccc(C2CC(CO)CN(C(=O)N3CCOCC3)C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 0.66
FKBP1A P62942 1/20 0.46
HRH3 Q9Y5N1 1/20 0.40
AKR1C3 P42330 1/20 0.40
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
MCHR1 Q99705 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
SCHEMBL486097 0.86 F2R (0.63) F2RFKBP1AHRH3NPC1MAPT
SCHEMBL485847 0.86 F2R (0.69) F2RFKBP1AAKR1C3NPC1MAPT
SCHEMBL640569 0.84 F2R (0.66) F2RFKBP1ANPC1MAPTSTAT1
SCHEMBL643116 0.84 F2R (0.66) F2RFKBP1AAKR1C3NPC1MAPT
SCHEMBL3796710 0.83 F2R (0.65) F2RFKBP1AAKR1C3NPC1MAPT
SCHEMBL3723936 0.83 F2R (0.63) F2RAKR1C3
SCHEMBL485754 0.83 F2R (0.71) F2RFKBP1AAKR1C3NPC1MAPT
SCHEMBL641244 0.83 F2R (0.65) F2RFKBP1AAKR1C3NPC1MAPT
SCHEMBL640992 0.82 F2R (0.73) F2RFKBP1ANPC1MAPTSTAT1
SCHEMBL1581192 0.81 F2R (0.77) F2RFKBP1AAKR1C3NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142690-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-07 US disclosed
US-20120142690-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-07 US disclosed
WO-2010136137-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010136137-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 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 (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-20120142690-A1 Substituted piperidines VHL, PIR, PIGO F2R 1339/4885FKBP1A 1413/4885HRH3 1257/4885

“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.