SCHEMBL4635118

SCHEMBL4635118

CC(=O)Nc1cc(Cl)c(C)cc1OCC(=O)N1CCC(C#N)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.39
TSHR P16473 3/20 0.39
GAA P10253 3/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 4/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
CCR1 P32246 3/20 0.37
FPR3 P25089 1/20 0.37
GPR65 Q8IYL9 1/20 0.37
GPR35 Q9HC97 1/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL4634435 0.87 POLB (0.40) SMN1; SMN2TSHRGAANPC1RAB9A
SCHEMBL4633914 0.85 SMN1; SMN2 (0.38) SMN1; SMN2TSHRGAAMAPK1NPC1
SCHEMBL4634336 0.84 CCR1 (0.42) SMN1; SMN2TSHRGAAMAPK1NPC1
SCHEMBL4634301 0.80 CCR1 (0.56) SMN1; SMN2TSHRGAAMAPK1NPC1
SCHEMBL4635041 0.78 CCR1 (0.44) SMN1; SMN2TSHRGAAMAPK1NPC1
SCHEMBL4634235 0.77 CCR1 (0.42) TSHRGAAHTTALDH1A1CCR1
SCHEMBL4634732 0.77 CYP2C9 (0.47) SMN1; SMN2TSHRGAAMAPK1NPC1
SCHEMBL5674679 0.77 SMN1; SMN2 (0.42) SMN1; SMN2TSHRGAAMAPK1NPC1
SCHEMBL4635008 0.77 PTGDR2 (0.44) SMN1; SMN2TSHRGAAMAPK1NPC1
SCHEMBL4633977 0.77 MEN1 (0.47) TSHRLMNAALDH1A1MAPTCCR1

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 SMN1; SMN2 2864/4885TSHR 3158/4885GAA 4147/4885

“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.