SCHEMBL4635736

SCHEMBL4635736

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)COc2ccnc3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
FKBP1A P62942 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.39
FAP Q12884 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 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
SCHEMBL4635329 0.83 KDM4E (0.43) ALDH1A1FKBP1AKDM4EMAPTHSD17B10
SCHEMBL4635615 0.82 GPBAR1 (0.44) ALDH1A1FKBP1AKDM4EMAPTHSD17B10
SCHEMBL5671951 0.81 PKM (0.45) ALDH1A1KDM4EMAPTHSD17B10TSHR
SCHEMBL4634235 0.80 CCR1 (0.42) ALDH1A1FKBP1ATSHRHTTHPGD
SCHEMBL4634118 0.79 NPC1 (0.43) ALDH1A1FKBP1AKDM4EMAPTHPGD
SCHEMBL4634724 0.78 TDP1 (0.42) ALDH1A1KDM4EMAPTHTTGAA
SCHEMBL4635916 0.78 KDM4E (0.41) ALDH1A1FKBP1AKDM4EMAPTHSD17B10
SCHEMBL4634701 0.77 MAPT (0.47) KDM4EMAPTTSHRHTTHPGD
SCHEMBL4634923 0.77 MAPK1 (0.49) ALDH1A1KDM4EMAPTHSD17B10RECQL
SCHEMBL4634653 0.77 KDM4E (0.42) ALDH1A1FKBP1AKDM4EHSD17B10HTT

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 ALDH1A1 296/4885FKBP1A 3328/4885KDM4E 4378/4885

“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.