SCHEMBL14368751

SCHEMBL14368751

O=C(CCc1cccc(Cl)c1)N[C@@H]1CCCC[C@H]1CN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.52
▸ EPHX2 P34913 1/20 0.49
▸ CCR3 P51677 4/20 0.48
▸ THRB P10828 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SIGMAR1 Q99720 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ ACKR3 P25106 1/20 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
SCHEMBL27757307 1.00 NPC1 (0.52) NPC1EPHX2CCR3THRBHPGD
SCHEMBL14368694 0.87 MCHR1 (0.52) CCR3HPGDSIGMAR1
SCHEMBL28783269 0.87 MCHR1 (0.52) CCR3HPGDSIGMAR1
SCHEMBL28779126 0.85 CCR3 (0.56) CCR3SIGMAR1ALDH1A1ACKR3
SCHEMBL14368761 0.82 C3AR1 (0.50) SIGMAR1ALDH1A1
SCHEMBL27757311 0.82 C3AR1 (0.50) SIGMAR1ALDH1A1
SCHEMBL14368748 0.81 TP53 (0.48) NPC1HPGDSIGMAR1ALDH1A1RAB9A
SCHEMBL27778439 0.81 TP53 (0.48) NPC1HPGDSIGMAR1ALDH1A1RAB9A
SCHEMBL14368730 0.79 POLB (0.58) CCR3HPGDSIGMAR1ALDH1A1ACKR3
SCHEMBL28783273 0.79 POLB (0.58) CCR3HPGDSIGMAR1ALDH1A1ACKR3

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
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 — — WO disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 NPC1 1012/4885EPHX2 2383/4885CCR3 247/4885

“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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