SCHEMBL4635487

SCHEMBL4635487

O=C(NCCN1CCOCC1)c1cc(Cl)ccc1OCC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.54
TNKS2 Q9H2K2 1/20 0.54
ALDH1A1 P00352 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 1/20 0.48
CD274 Q9NZQ7 2/20 0.48
HTR1A P08908 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
KCNH2 Q12809 1/20 0.48
POLB P06746 1/20 0.46
EPHX2 P34913 2/20 0.46
CCR1 P32246 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4634648 0.89 CCR1 (0.50) WNT3ATNKS2ALDH1A1CYP2C19MEN1
SCHEMBL4634661 0.87 CCR1 (0.59) WNT3ATNKS2ALDH1A1CYP2C19MEN1
SCHEMBL4635561 0.85 CCR1 (0.53) WNT3ATNKS2ALDH1A1CYP2C19MEN1
SCHEMBL4635375 0.85 CCR1 (0.49) WNT3ATNKS2ALDH1A1CYP2C19MEN1
SCHEMBL4634031 0.85 CCR1 (0.47) WNT3ATNKS2ALDH1A1CYP2C19MEN1
SCHEMBL4635504 0.84 HSD11B1 (0.48) WNT3ATNKS2ALDH1A1CYP2C19MEN1
SCHEMBL4634277 0.84 CCR1 (0.48) WNT3ATNKS2ALDH1A1CYP2C19MEN1
SCHEMBL4635052 0.84 HSD11B1 (0.52) ALDH1A1MEN1KMT2ACCR1SMN1; SMN2
SCHEMBL4634704 0.84 HSD11B1 (0.52) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL4634843 0.84 WNT3A (0.50) WNT3ATNKS2ALDH1A1CYP2C19MEN1

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 WNT3A 3640/4885TNKS2 3828/4885ALDH1A1 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.