SCHEMBL4634261

SCHEMBL4634261

COC(=O)c1cc(Cl)c(C(F)(F)F)cc1OCC(=O)N1CCC(C#N)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTT P42858 3/20 0.37
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OPRL1 P41146 1/20 0.35
MC4R P32245 1/20 0.34
HSD11B1 P28845 1/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL4725496 0.91 HTT (0.39) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL4634732 0.86 CYP2C9 (0.47) KMT2AMEN1CYP2C9CYP2C19CYP1A2
SCHEMBL4635008 0.78 PTGDR2 (0.44) HTTSMN1; SMN2HPGDTSHRLMNA
SCHEMBL5674679 0.78 SMN1; SMN2 (0.42) HTTSMN1; SMN2HPGDTSHRLMNA
SCHEMBL4634486 0.77 ALDH1A1 (0.39) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL4633914 0.77 SMN1; SMN2 (0.38) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL4634824 0.77 MDH1 (0.48) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL4634285 0.76 CCR1 (0.52) HTTALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL4634679 0.76 CCR1 (0.46) HTTSMN1; SMN2HPGDTSHRLMNA
SCHEMBL4634714 0.76 POLB (0.52) KMT2AMEN1CYP2C19CYP1A2CYP3A4

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 6 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 claimed
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US claimed
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 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 KMT2A 4584/4885MEN1 4827/4885CYP2C9 935/4885

“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.