SCHEMBL4635888

SCHEMBL4635888

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)COc2ccc3ccncc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 6/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
GPR183 P32249 1/20 0.42
FKBP1A P62942 1/20 0.41
PRMT3 O60678 1/20 0.40
POLB P06746 3/20 0.39
GLA P06280 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
PORCN Q9H237 1/20 0.39
TPH1 P17752 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL4635611 0.97 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL4634118 0.84 NPC1 (0.43) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL4635615 0.82 GPBAR1 (0.44) ALDH1A1MAPTKDM4ENPC1FKBP1A
SCHEMBL4635527 0.81 FKBP1A (0.44) ALDH1A1MAPTKDM4ERAB9AFKBP1A
SCHEMBL4634714 0.80 POLB (0.52) CYP3A4CYP2C19ALDH1A1MAPTKDM4E
SCHEMBL4634824 0.79 MDH1 (0.48) ALDH1A1MAPTFKBP1APOLBLMNA
SCHEMBL4635591 0.77 ENPP2 (0.61) ALDH1A1KDM4ENPC1RAB9AFKBP1A
SCHEMBL4634615 0.77 SMN1; SMN2 (0.46) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL4635164 0.76 ALDH1A1 (0.47) CYP3A4CYP2C9ALDH1A1MAPTFKBP1A
SCHEMBL4634711 0.76 ENPP2 (0.55) MAPTNPC1RAB9ALMNASMN1; SMN2

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 5 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
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 CYP3A4 1207/4885CYP2C9 935/4885CYP2C19 931/4885

“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.