SCHEMBL4634235

SCHEMBL4634235

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)COc2ccccc2NC(N)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.42
FPR3 P25089 1/20 0.42
GPR65 Q8IYL9 1/20 0.42
GPR35 Q9HC97 1/20 0.42
FKBP1A P62942 1/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BLM P54132 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.39
CCR3 P51677 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
CBX7 O95931 1/20 0.38
UBE2N P61088 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
SCHEMBL4634301 0.89 CCR1 (0.56) CCR1FPR3GPR65GPR35HTT
SCHEMBL4633977 0.88 MEN1 (0.47) CCR1FPR3GPR65GPR35ALDH1A1
SCHEMBL4634435 0.81 POLB (0.40) HTTALDH1A1HPGDMEN1KMT2A
SCHEMBL4634538 0.80 MEN1 (0.41) FKBP1AHTTALDH1A1HPGDMEN1
SCHEMBL4635736 0.80 ALDH1A1 (0.45) FKBP1AHTTALDH1A1HPGDGAA
SCHEMBL5674714 0.79 CCR1 (0.44) CCR1FPR3GPR65GPR35HTT
SCHEMBL4634653 0.78 KDM4E (0.42) FKBP1AHTTALDH1A1HPGD
SCHEMBL4635041 0.78 CCR1 (0.44) CCR1FPR3GPR65GPR35HTT
SCHEMBL4635118 0.77 SMN1; SMN2 (0.39) CCR1FPR3GPR65GPR35HTT
SCHEMBL4634714 0.77 POLB (0.52) CCR1FKBP1AHTTALDH1A1HPGD

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 CCR1 1/4885FPR3 90/4885GPR65 205/4885

“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.