SCHEMBL4634336

SCHEMBL4634336

Cc1cc(OCC(=O)N2CCC(C#N)(Cc3ccc(F)cc3)CC2)c(CC(=O)O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
SMN1; SMN2 Q16637 7/20 0.39
TSHR P16473 3/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 5/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
LMNA P02545 5/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36

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
SCHEMBL4633914 0.92 SMN1; SMN2 (0.38) CCR1SMN1; SMN2TSHRGAAMAPK1
SCHEMBL4634373 0.87 CCR1 (0.53) CCR1SMN1; SMN2TSHRGAAMAPK1
SCHEMBL4635118 0.84 SMN1; SMN2 (0.39) CCR1SMN1; SMN2TSHRGAAMAPK1
SCHEMBL4634364 0.84 PTGDR2 (0.43) CCR1SMN1; SMN2MAPK1HTTPTGDR2
SCHEMBL4635489 0.83 CCR1 (0.37) CCR1SMN1; SMN2TSHRGAANPC1
SCHEMBL4634315 0.81 HTT (0.44) CCR1SMN1; SMN2TSHRGAAMAPK1
SCHEMBL4634679 0.80 CCR1 (0.46) CCR1SMN1; SMN2TSHRGAAMAPK1
SCHEMBL4634701 0.79 MAPT (0.47) CCR1SMN1; SMN2TSHRGAAMAPK1
SCHEMBL4634943 0.79 PTGDR2 (0.45) CCR1SMN1; SMN2TSHRGAAMAPK1
SCHEMBL4634685 0.79 RECQL (0.45) CCR1SMN1; SMN2TSHRGAAHTT

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 CCR1 1/4885SMN1; SMN2 2864/4885TSHR 3158/4885

“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.