SCHEMBL5131986

SCHEMBL5131986

COc1cc2c(cc1OC)CN(C(C)c1cccc(Oc3ccccc3)c1)CC2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FAAH O00519 1/20 0.47
ACHE P22303 4/20 0.46
ABCB1 P08183 2/20 0.45
HCRTR2 O43614 1/20 0.45
CHRNA7 P36544 3/20 0.42
OGA O60502 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
SLC6A4 P31645 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
SCHEMBL5120695 0.94 ACHE (0.45) KDM4EALDH1A1TSHRHSD17B10ACHE
SCHEMBL5121371 0.91 ACHE (0.46) KDM4EALDH1A1TSHRHSD17B10FAAH
SCHEMBL5131000 0.91 ABCB1 (0.49) KDM4EALDH1A1TSHRHSD17B10FAAH
SCHEMBL5128220 0.89 ACHE (0.42) KDM4EALDH1A1TSHRHSD17B10FAAH
SCHEMBL5127676 0.88 KCNH2 (0.46) KDM4EALDH1A1TSHRHSD17B10ACHE
SCHEMBL5128540 0.87 OGA (0.55) ALDH1A1TSHRHSD17B10FAAHOGA
SCHEMBL5131480 0.86 REV1 (0.57) KDM4EALDH1A1TSHRHSD17B10ABCB1
SCHEMBL5128323 0.85 OGA (0.51) KDM4EALDH1A1TSHRHSD17B10FAAH
SCHEMBL15131063 0.80 OGA (0.56) KDM4EALDH1A1TSHRHSD17B10OGA
SCHEMBL5120634 0.79 OGA (0.50) ALDH1A1TSHRHSD17B10FAAHOGA

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 KDM4E 1758/4885ALDH1A1 2248/4885TSHR 33/4885

“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.