SCHEMBL4634824

SCHEMBL4634824

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDH1 P40925 1/20 0.48
MDH2 P40926 1/20 0.48
FKBP1A P62942 1/20 0.48
ENPP2 Q13822 6/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4634714 0.88 POLB (0.52) FKBP1AENPP2MEN1KMT2APOLB
SCHEMBL4635591 0.84 ENPP2 (0.61) FKBP1AENPP2MEN1KMT2APOLB
SCHEMBL4635527 0.82 FKBP1A (0.44) FKBP1AENPP2MEN1KMT2APOLB
SCHEMBL4635164 0.80 ALDH1A1 (0.47) FKBP1AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4635611 0.79 CYP3A4 (0.44) FKBP1AENPP2MEN1KMT2APOLB
SCHEMBL4635888 0.79 CYP3A4 (0.46) FKBP1AMEN1KMT2APOLBSMN1; SMN2
SCHEMBL4634118 0.79 NPC1 (0.43) FKBP1AMEN1KMT2APOLBSMN1; SMN2
SCHEMBL4725496 0.79 HTT (0.39) FKBP1AENPP2MEN1KMT2APOLB
SCHEMBL4634615 0.78 SMN1; SMN2 (0.46) FKBP1AENPP2L3MBTL1SMN1; SMN2LMNA
SCHEMBL4635018 0.78 PTGDR2 (0.41) FKBP1AMEN1KMT2ASMN1; SMN2LMNA

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 MDH1 2752/4885MDH2 3088/4885FKBP1A 3328/4885

“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.