SCHEMBL4635527

SCHEMBL4635527

N#Cc1ccc(OCC(=O)N2CCC(C#N)(Cc3ccc(F)cc3)CC2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
TRPV4 Q9HBA0 3/20 0.40
ATF4 P18848 1/20 0.40
ENPP2 Q13822 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4634714 0.84 POLB (0.52) FKBP1ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4635597 0.83 PTGDR2 (0.45) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL4634824 0.82 MDH1 (0.48) FKBP1ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4635611 0.81 CYP3A4 (0.44) FKBP1ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4634118 0.81 NPC1 (0.43) FKBP1ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4635888 0.81 CYP3A4 (0.46) FKBP1ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4635591 0.81 ENPP2 (0.61) FKBP1ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4634615 0.80 SMN1; SMN2 (0.46) FKBP1ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL4635164 0.80 ALDH1A1 (0.47) FKBP1ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4634711 0.80 ENPP2 (0.55) SMN1; SMN2LMNAMEN1KMT2AMAPT

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-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US claimed
EP-1928829-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2008-06-11 EP disclosed
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
WO-2006066948-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 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-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents CCR1, CCR2, CCR3 FKBP1A 3328/4885SMN1; SMN2 2864/4885ALDH1A1 296/4885

“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.