SCHEMBL4635164

SCHEMBL4635164

COc1cc(OCC(=O)N2CCC(C#N)(Cc3ccc(F)cc3)CC2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CBX7 O95931 5/20 0.44
TP53 P04637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
FKBP1A P62942 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4635018 0.90 PTGDR2 (0.41) ALDH1A1CYP3A4CYP2C9CBX7TP53
SCHEMBL4634714 0.81 POLB (0.52) ALDH1A1CYP3A4KMT2AMEN1FKBP1A
SCHEMBL4633977 0.81 MEN1 (0.47) ALDH1A1CBX7KMT2AMEN1MAPT
SCHEMBL4634108 0.81 ENPP2 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4635527 0.80 FKBP1A (0.44) ALDH1A1HSD17B10KMT2AMEN1FKBP1A
SCHEMBL4634824 0.80 MDH1 (0.48) ALDH1A1HSD17B10KMT2AMEN1FKBP1A
SCHEMBL5060127 0.79 ALDH1A1 (0.70) ALDH1A1CYP3A4CYP2C9HSD17B10KMT2A
SCHEMBL4635591 0.78 ENPP2 (0.61) ALDH1A1KMT2AMEN1FKBP1ASMN1; SMN2
SCHEMBL4634732 0.78 CYP2C9 (0.47) ALDH1A1CYP3A4CYP2C9KMT2AMEN1
SCHEMBL5674679 0.78 SMN1; SMN2 (0.42) PTGDR2MAPTLMNASMN1; SMN2

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 ALDH1A1 296/4885CYP3A4 1207/4885CYP2C9 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.