SCHEMBL4633758

SCHEMBL4633758

NCC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
BLM P54132 1/20 0.49
HSD11B1 P28845 4/20 0.49
MGLL Q99685 1/20 0.49
CCR1 P32246 3/20 0.48
FPR3 P25089 1/20 0.48
GPR65 Q8IYL9 1/20 0.48
GPR35 Q9HC97 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
UBE2N P61088 1/20 0.48
POLB P06746 1/20 0.47
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2D6 P10635 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44

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
SCHEMBL4634938 0.93 ALDH1A1 (0.50) ALDH1A1BLMHSD11B1MGLLCCR1
SCHEMBL4634297 0.91 CCR1 (0.58) ALDH1A1BLMHSD11B1MGLLCCR1
SCHEMBL4634717 0.87 ALDH1A1 (0.47) ALDH1A1BLMHSD11B1MGLLCCR1
SCHEMBL5674687 0.87 CCR1 (0.47) ALDH1A1BLMHSD11B1MGLLCCR1
SCHEMBL4634607 0.85 CCR1 (0.46) ALDH1A1BLMHSD11B1MGLLCCR1
SCHEMBL4634263 0.85 MEN1 (0.51) ALDH1A1MGLLCCR1FPR3GPR65
SCHEMBL5674717 0.84 ALDH1A1 (0.51) ALDH1A1BLMHSD11B1MGLLCCR1
SCHEMBL5674648 0.84 ALDH1A1 (0.46) ALDH1A1BLMHSD11B1MGLLCCR1
SCHEMBL5671909 0.84 HSD11B1 (0.56) ALDH1A1HSD11B1MGLLMEN1KMT2A
SCHEMBL5671959 0.83 ALDH1A1 (0.47) ALDH1A1BLMHSD11B1MGLLCCR1

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 4 patents. 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 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 296/4885BLM 3857/4885HSD11B1 2270/4885

“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.