SCHEMBL5120695

SCHEMBL5120695

COc1ccc(Oc2cccc(C(C)N3CCc4cc(OC)c(OC)cc4C3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.45
PKM P14618 1/20 0.45
ABCB1 P08183 7/20 0.44
ABCC1 P33527 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL5131986 0.94 KDM4E (0.47) ACHEABCB1KDM4EALDH1A1TSHR
SCHEMBL5121371 0.92 ACHE (0.46) ACHEABCB1ABCC1ABCG2MAPT
SCHEMBL5128220 0.91 ACHE (0.42) ACHEABCB1MAPTKDM4EALDH1A1
SCHEMBL5127676 0.89 KCNH2 (0.46) ACHEABCB1ABCC1ABCG2MAPT
SCHEMBL5128323 0.88 OGA (0.51) MAPTKDM4EALDH1A1TSHRHSD17B10
SCHEMBL5131000 0.87 ABCB1 (0.49) ABCB1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL5128540 0.81 OGA (0.55) ALDH1A1TSHRHSD17B10
SCHEMBL5131480 0.81 REV1 (0.57) ABCB1ABCC1KDM4EALDH1A1TSHR
SCHEMBL15131063 0.79 OGA (0.56) KDM4EALDH1A1TSHRHSD17B10
SCHEMBL5120634 0.78 OGA (0.50) ALDH1A1TSHRHSD17B10

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
US-20080161344-A1 Melanin Concentrating Hormone Receptor Ligands: Substituted Tetrahydroisoquinoline Analogues NEUROGEN CORPORATION 2008-07-03 US claimed
WO-2005077903-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED TETRAHYDROISOQUINOLINE ANALOGUES NEUROGEN CORPORATION (US) 2005-08-25 WO claimed
US-20080161344-A1 Melanin Concentrating Hormone Receptor Ligands: Substituted Tetrahydroisoquinoline Analogues NEUROGEN CORPORATION 2008-07-03 US disclosed
US-20080161344-A1 Melanin Concentrating Hormone Receptor Ligands: Substituted Tetrahydroisoquinoline Analogues NEUROGEN CORPORATION 2008-07-03 US disclosed
US-20080161344-A1 Melanin Concentrating Hormone Receptor Ligands: Substituted Tetrahydroisoquinoline Analogues NEUROGEN CORPORATION 2008-07-03 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-20080161344-A1 Melanin Concentrating Hormone Receptor Ligands: Substituted Tetrahydroisoquinoline Analogues MCHR1, MCHR2, MC1R ACHE 3354/4885PKM 1567/4885ABCB1 2755/4885

“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.