SCHEMBL5674657

SCHEMBL5674657

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)COc2ccc(Cl)cc2C(=O)NCCOCCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.46
PTGER4 P35408 1/20 0.38
HTT P42858 3/20 0.37
LMNA P02545 4/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
AKR1B1 P15121 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
KMT2A Q03164 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
SCHEMBL4634348 0.89 CCR1 (0.52) CCR1PTGER4HTTLMNATSHR
SCHEMBL4634280 0.88 CCR1 (0.45) CCR1PTGER4HTTLMNATSHR
SCHEMBL4634723 0.88 CCR1 (0.46) CCR1HTTLMNATSHRALDH1A1
SCHEMBL5671967 0.85 CCR1 (0.44) CCR1PTGER4HTTLMNATSHR
SCHEMBL4634285 0.85 CCR1 (0.52) CCR1HTTLMNATSHRALDH1A1
SCHEMBL5671984 0.84 CCR1 (0.41) CCR1PTGER4HTTLMNATSHR
SCHEMBL4634732 0.84 CYP2C9 (0.47) CCR1HTTLMNATSHRALDH1A1
SCHEMBL4633887 0.83 CCR1 (0.44) CCR1HTTLMNAALDH1A1SMN1; SMN2
SCHEMBL5674676 0.83 CCR1 (0.42) CCR1HTTTSHRSMN1; SMN2GAA
SCHEMBL4635564 0.82 CCR1 (0.43) CCR1HTTLMNATSHRALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US 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 CCR1 1/4885PTGER4 78/4885HTT 4424/4885

“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.