SCHEMBL6338302

SCHEMBL6338302

Fc1cccc(Cc2ccc(Cl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SNCA P37840 4/20 0.47
TAAR1 Q96RJ0 3/20 0.47
CNR1 P21554 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
CYP17A1 P05093 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
IDO1 P14902 3/20 0.46
AGXT P21549 2/20 0.46
LMNA P02545 1/20 0.45
PTPN5 P54829 1/20 0.44
DAO P14920 1/20 0.44
MDM2 Q00987 1/20 0.43

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
SCHEMBL14931455 0.86 GRIN2B (0.53) TAAR1CYP3A4IDO1AGXTDAO
SCHEMBL7929350 0.85 TAAR1 (0.52) TAAR1CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL3300303 0.85 TAAR1 (0.60) TAAR1CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL27891098 0.84 TAAR1 (0.57) TAAR1CNR1PPARGPPARACYP3A4
SCHEMBL3298408 0.83 CALM1 (0.57) TAAR1CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL2093970 0.81 PNMT (0.56) TAAR1CYP3A4IDO1AGXTLMNA
SCHEMBL2306476 0.81 TAAR1 (0.53) TAAR1CNR1PPARGPPARACYP3A4
SCHEMBL21384149 0.80 MAOB (0.59) TAAR1CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL6287589 0.80 CYP3A4 (0.57) TAAR1CYP3A4IDO1AGXTLMNA
SCHEMBL16191188 0.80 TAAR1 (0.52) TAAR1CYP17A1CYP3A4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014788-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2005-01-20 US disclosed
EP-1448524-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) AstraZeneca AB (SE) 2004-08-25 EP disclosed
WO-2003042177-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) ASTRAZENECA AB (SE) 2003-05-22 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-20050014788-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) CCR5, CCR2, CCL2 SNCA 3589/4885TAAR1 255/4885CNR1 85/4885

“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.