SCHEMBL6375216

SCHEMBL6375216

COc1cccc(CCNC(=O)Cc2ccc(OC)c(OC)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
POLB P06746 2/20 0.73
CA1 P00915 2/20 0.70
CA2 P00918 2/20 0.70
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
LMNA P02545 1/20 0.62
HPGD P15428 1/20 0.62
HTT P42858 1/20 0.62
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58

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
SCHEMBL4025074 1.00 ALDH1A1 (0.73) ALDH1A1POLBCA1CA2MEN1
SCHEMBL21346687 0.93 ALDH1A1 (0.65) ALDH1A1POLBCA1CA2MEN1
SCHEMBL21346125 0.93 ALDH1A1 (0.64) ALDH1A1POLBCA1CA2MEN1
SCHEMBL21346188 0.93 ALDH1A1 (0.64) ALDH1A1POLBCA1CA2MEN1
SCHEMBL11948295 0.92 CA1 (0.64) ALDH1A1POLBCA1CA2MEN1
SCHEMBL11948296 0.91 CA1 (0.62) ALDH1A1POLBCA1CA2MEN1
SCHEMBL11654998 0.91 CA1 (0.77) ALDH1A1CA1CA2HTTSMN1; SMN2
SCHEMBL21328352 0.91 CA1 (0.78) ALDH1A1POLBCA1CA2MTNR1A
SCHEMBL11948294 0.91 CA1 (0.74) ALDH1A1POLBCA1CA2MEN1
SCHEMBL4024309 0.90 KMT2A (0.80) ALDH1A1POLBMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274687-B1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-01-05 EP disclosed
US-6703392-B2 OREXIN RECEPTOR ANTAGONISTS FOR OBESITY OR SLEEPING DISORDER TREATMENT ACTELION PHARMACEUTICALS LTD. (CH) 2004-03-09 US disclosed
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2003-09-18 US disclosed
EP-1274687-A1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2003-01-15 EP disclosed
WO-2001068609-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-09-20 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-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives HCRTR2, HCRTR1, NPY2R ALDH1A1 1115/4885POLB 4785/4885CA1 2487/4885

“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.