SCHEMBL85092

SCHEMBL85092

O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
SCN3A Q9NY46 2/20 0.55
SCN9A Q15858 1/20 0.55
PSMB8 P28062 2/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
ULK1 O75385 1/20 0.50
HTR2C P28335 1/20 0.49
ROCK2 O75116 2/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
EPHX1 P07099 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TERT O14746 1/20 0.47

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
Hydrochloric Acid SCHEMBL76440 0.98 SCN3A (0.57) RAB9ANPC1SCN3ASCN9APSMB8
Hydrochloric Acid SCHEMBL76439 0.98 SCN3A (0.57) RAB9ANPC1SCN3ASCN9APSMB8
SCHEMBL2170910 0.92 PFKFB3 (0.53) RAB9ANPC1SCN3ASCN9APSMB8
SCHEMBL23373329 0.92 PFKFB3 (0.53) RAB9ANPC1SCN3ASCN9APSMB8
SCHEMBL13388756 0.87 SCN3A (0.64) RAB9ASCN3ASCN9APSMB8ULK1
SCHEMBL7692273 0.86 SCN3A (0.56) SCN3ASCN9APSMB8HTTULK1
SCHEMBL29365790 0.86 SCN3A (0.56) SCN3ASCN9APSMB8HTTULK1
SCHEMBL13379539 0.84 SCN3A (0.58) RAB9ANPC1SCN3ASCN9APSMB8
SCHEMBL1750392 0.84 SCN3A (0.58) RAB9ANPC1SCN3ASCN9APSMB8
SCHEMBL873241 0.84 SCN3A (0.55) RAB9ANPC1SCN3ASCN9APSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022053541-A1 COMPOUNDS FOR USE AS APPETITE SUPPRESSANT ERACAL THERAPEUTICS LTD. (CH) 2022-03-17 WO disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
CN-101102818-A Medicaments comprising carbonyl compounds, and the use thereof MERCK PATENT GMBH (DE) 2008-01-09 CN disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 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 (2 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX RAB9A 1813/4885NPC1 2731/4885SCN3A 4518/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB RAB9A 3292/4885NPC1 1383/4885SCN3A 4340/4885

“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.