SCHEMBL4635597

SCHEMBL4635597

N#Cc1cc(Cl)ccc1OCC(=O)N1CCC(C#N)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.45
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 3/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 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
SCHEMBL4634315 0.89 HTT (0.44) PTGDR2HTTSMN1; SMN2TSHRGAA
SCHEMBL4633976 0.89 LMNA (0.53) HTTSMN1; SMN2TSHRGAAHPGD
SCHEMBL4634701 0.89 MAPT (0.47) PTGDR2HTTSMN1; SMN2TSHRGAA
SCHEMBL4634285 0.88 CCR1 (0.52) PTGDR2HTTSMN1; SMN2TSHRGAA
SCHEMBL4635564 0.88 CCR1 (0.43) HTTSMN1; SMN2TSHRGAAHPGD
SCHEMBL4634630 0.87 HTT (0.43) PTGDR2HTTSMN1; SMN2TSHRGAA
SCHEMBL5672743 0.87 PTGDR2 (0.43) PTGDR2HTTSMN1; SMN2TSHRGAA
SCHEMBL5673252 0.87 PTGDR2 (0.43) PTGDR2HTTSMN1; SMN2TSHRGAA
SCHEMBL4635851 0.86 ENPP2 (0.43) PTGDR2HTTSMN1; SMN2TSHRGAA
SCHEMBL4633911 0.86 HTT (0.42) 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.