SCHEMBL4635399

SCHEMBL4635399

O=C(O)N1CCC(CNC(=O)C(F)(F)F)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
HSD11B1 P28845 1/20 0.39
NPFFR1 Q9GZQ6 6/20 0.39
NPFFR2 Q9Y5X5 6/20 0.39
OPRK1 P41145 1/20 0.38
ACLY P53396 1/20 0.36
KMT2A Q03164 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CCR5 P51681 1/20 0.35
RORC P51449 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4634337 0.75 OPRM1 (0.43) KDM1AHSD11B1OPRK1KMT2AOPRM1
SCHEMBL4633737 0.75 OPRD1 (0.39) KDM1AKMT2AOPRM1RORCMAPK1
SCHEMBL4634957 0.74 HSD11B1 (0.44) KDM1AHSD11B1NPFFR1NPFFR2KMT2A
SCHEMBL4634537 0.74 CYP46A1 (0.50) HSD11B1OPRK1OPRM1OPRL1
SCHEMBL4634991 0.72 HSD11B1 (0.41) HSD11B1KMT2AALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5810883 0.71 HSD11B1 (0.43) KDM1AHSD11B1ALDH1A1POLB
SCHEMBL5807513 0.70 HTT (0.41) HSD11B1ALDH1A1SMN1; SMN2GAA
SCHEMBL4635362 0.70 HSD11B1 (0.40) HSD11B1OPRK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27225337 0.70 ALDH1A1 (0.34) KMT2AALDH1A1SMN1; SMN2MEN1POLB
SCHEMBL2798597 0.69 ALDH1A1 (0.43) HSD11B1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM1A 3174/4885HSD11B1 2270/4885NPFFR1 260/4885

“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.