SCHEMBL6312662

SCHEMBL6312662

O=C(NC1CCCCC1)NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 4/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ CCR3 P51677 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SIGMAR1 Q99720 2/20 0.46
▸ SLC18A3 Q16572 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CHRM2 P08172 2/20 0.42

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
SCHEMBL5499358 1.00 EPHX1 (0.52) EPHX1MEN1GAAHTTKMT2A
Cyclohexane SCHEMBL5497140 0.86 SIGMAR1 (0.46) POLBCCR3ALDH1A1SIGMAR1SLC18A3
SCHEMBL6304074 0.86 MEN1 (0.50) EPHX1MEN1GAAHTTKMT2A
SCHEMBL6304071 0.86 MEN1 (0.50) EPHX1MEN1GAAHTTKMT2A
SCHEMBL6613640 0.85 SIGMAR1 (0.47) CCR3ALDH1A1SIGMAR1SLC18A3
SCHEMBL5497157 0.85 CHRM2 (0.45) CCR3SIGMAR1CHRM2
SCHEMBL6312646 0.84 MEN1 (0.51) EPHX1MEN1KMT2ACCR3ALDH1A1
SCHEMBL6312650 0.84 MEN1 (0.51) EPHX1MEN1KMT2ACCR3ALDH1A1
SCHEMBL6304033 0.84 SIGMAR1 (0.58) GAAPOLBCCR3ALDH1A1SMN1; SMN2
SCHEMBL6304036 0.84 SIGMAR1 (0.58) GAAPOLBCCR3ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6977265-B2 Piperidine CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2005-12-20 — — US disclosed
US-20030229121-A1 Piperidine CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC 2003-12-11 — — 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-20030229121-A1 Piperidine CCR-3 receptor antagonists CCR1, CCR3, CCRL2 EPHX1 1180/4885MEN1 4556/4885GAA 4327/4885

“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.

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