SCHEMBL4635018

SCHEMBL4635018

COc1cc(OCC(=O)N2CCC(C#N)(Cc3ccc(F)cc3)CC2)cc(OC)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.40
FKBP1A P62942 1/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
CBX7 O95931 1/20 0.38
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 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
SCHEMBL4635164 0.90 ALDH1A1 (0.47) PTGDR2KMT2AMEN1FKBP1ATP53
SCHEMBL4633754 0.80 KDM4E (0.46) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4634714 0.79 POLB (0.52) KMT2AMEN1KDM4EFKBP1AALDH1A1
SCHEMBL4633977 0.79 MEN1 (0.47) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4635390 0.79 PTGDR2 (0.47) PTGDR2KMT2AMEN1KDM4EALDH1A1
SCHEMBL4634630 0.79 HTT (0.43) PTGDR2KMT2AMEN1KDM4EALDH1A1
SCHEMBL4634108 0.78 ENPP2 (0.44) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4635527 0.78 FKBP1A (0.44) KMT2AMEN1KDM4EFKBP1AALDH1A1
SCHEMBL4634824 0.78 MDH1 (0.48) KMT2AMEN1FKBP1AALDH1A1SMN1; SMN2
SCHEMBL4635591 0.76 ENPP2 (0.61) KMT2AMEN1KDM4EFKBP1AALDH1A1

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 PTGDR2 75/4885KMT2A 4584/4885MEN1 4827/4885

“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.