SCHEMBL4634356

SCHEMBL4634356

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)COc2ccc(Cl)cc2-c2ccno2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 4/20 0.38
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
ENPP2 Q13822 1/20 0.38
ATXN2 Q99700 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CCR1 P32246 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
SCHEMBL5673256 0.85 HTT (0.39) PTGDR2HTTSMN1; SMN2TSHRGAA
SCHEMBL4634285 0.84 CCR1 (0.52) PTGDR2HTTSMN1; SMN2TSHRGAA
SCHEMBL4634315 0.83 HTT (0.44) PTGDR2HTTSMN1; SMN2TSHRGAA
SCHEMBL4634701 0.83 MAPT (0.47) PTGDR2HTTSMN1; SMN2TSHRGAA
SCHEMBL4635597 0.83 PTGDR2 (0.45) PTGDR2HTTSMN1; SMN2TSHRGAA
SCHEMBL4633976 0.83 LMNA (0.53) HTTSMN1; SMN2TSHRGAAHPGD
SCHEMBL4635564 0.82 CCR1 (0.43) HTTSMN1; SMN2TSHRGAAHPGD
SCHEMBL4634732 0.82 CYP2C9 (0.47) HTTSMN1; SMN2TSHRGAAHPGD
SCHEMBL4634630 0.81 HTT (0.43) PTGDR2HTTSMN1; SMN2TSHRGAA
SCHEMBL5673252 0.81 PTGDR2 (0.43) PTGDR2HTTSMN1; SMN2TSHRGAA

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 PTGDR2 75/4885HTT 4424/4885SMN1; SMN2 2864/4885

“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.