SCHEMBL6699162

SCHEMBL6699162

O=CCC(c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CACNA2D1 P54289 3/20 0.45
CACNA1B Q00975 3/20 0.45
CACNB1 Q02641 3/20 0.45
CACNA1C Q13936 2/20 0.45
CACNA1G O43497 1/20 0.45
CASR P41180 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
HPGD P15428 1/20 0.39
CNR1 P21554 1/20 0.39
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
MAPT P10636 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
SCHEMBL4433877 0.85 ACP3 (0.39) ACP3CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL27614458 0.84 LMNA (0.36) ACP3MEN1KMT2ACACNA2D1CACNA1B
SCHEMBL6701579 0.83 IDO1 (0.46) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL68782 0.82 HTR2A (0.46)
SCHEMBL6704538 0.81 IDO1 (0.46) ALDH1A1
SCHEMBL6339476 0.79 PPARG (0.39) OPRL1CNR1
SCHEMBL5883541 0.79 ALDH1A1 (0.42) ACP3MEN1KMT2AALDH1A1HPGD
SCHEMBL6450353 0.77 ACP3 (0.53) ACP3MEN1KMT2ACACNA2D1CACNA1B
SCHEMBL5864119 0.77 HSD17B10 (0.41) MEN1KMT2ALMNAHPGDCNR1
SCHEMBL26923060 0.76 PNMT (0.39) ACP3MEN1KMT2ALMNA

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-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-01-08 US disclosed
CN-1441781-A Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity ASTRAZENECA AG (SE) 2003-09-10 CN disclosed
EP-1289957-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2003-03-12 EP disclosed
WO-2001087839-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-11-22 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-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity CCR5, CCR2, CCR1 ACP3 2213/4885MEN1 4785/4885KMT2A 4756/4885

“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.