SCHEMBL4634538

SCHEMBL4634538

COC(=O)CCc1ccccc1OCC(=O)N1CCC(C#N)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.40
FKBP1A P62942 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
THRB P10828 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 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
SCHEMBL4634773 0.82 MAPK1 (0.41) MEN1KMT2AHPGDHTTSMN1; SMN2
SCHEMBL4634679 0.82 CCR1 (0.46) HPGDHTTSMN1; SMN2NPC1MAPT
SCHEMBL4634235 0.80 CCR1 (0.42) MEN1KMT2AHPGDFKBP1AHTT
SCHEMBL5674679 0.80 SMN1; SMN2 (0.42) HPGDHTTSMN1; SMN2NPC1MAPT
SCHEMBL4634943 0.79 PTGDR2 (0.45) HPGDHTTSMN1; SMN2NPC1MAPT
SCHEMBL4633914 0.79 SMN1; SMN2 (0.38) MEN1KMT2AHPGDHTTSMN1; SMN2
SCHEMBL4635008 0.78 PTGDR2 (0.44) HPGDHTTSMN1; SMN2NPC1MAPT
SCHEMBL4634701 0.78 MAPT (0.47) HPGDHTTSMN1; SMN2NPC1MAPT
SCHEMBL4634923 0.78 MAPK1 (0.49) MEN1KMT2AHPGDHTTSMN1; SMN2
SCHEMBL4635736 0.77 ALDH1A1 (0.45) HPGDFKBP1AHTTALDH1A1MAPT

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 MEN1 4827/4885KMT2A 4584/4885HPGD 412/4885

“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.