SCHEMBL3796710

SCHEMBL3796710

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

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.65
FKBP1A P62942 1/20 0.43
AKR1C3 P42330 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
MCHR1 Q99705 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL485847 0.85 F2R (0.69) F2RFKBP1AAKR1C3MAPTSMN1; SMN2
SCHEMBL3793030 0.83 F2R (0.66) F2RFKBP1AAKR1C3MAPTSMN1; SMN2
SCHEMBL640569 0.83 F2R (0.66) F2RFKBP1AMAPTSMN1; SMN2NPC1
SCHEMBL643116 0.83 F2R (0.66) F2RFKBP1AAKR1C3MAPTSMN1; SMN2
SCHEMBL485754 0.82 F2R (0.71) F2RFKBP1AAKR1C3MAPTSMN1; SMN2
SCHEMBL641244 0.82 F2R (0.65) F2RFKBP1AAKR1C3MAPTSMN1; SMN2
SCHEMBL9888673 0.82 F2R (0.63) F2RAKR1C3
SCHEMBL640992 0.81 F2R (0.73) F2RFKBP1AMAPTSMN1; SMN2NPC1
SCHEMBL1581192 0.81 F2R (0.77) F2RFKBP1AAKR1C3MAPTSMN1; SMN2
SCHEMBL16579598 0.81 F2R (0.81) F2RFKBP1AMAPTSMN1; SMN2NPC1

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 1413/4885AKR1C3 2205/4885

“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.