SCHEMBL5128246

SCHEMBL5128246

CC(c1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.60
PRMT5 O14744 3/20 0.55
WDR77 Q9BQA1 3/20 0.55
OGA O60502 1/20 0.50
FFAR1 O14842 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47
CHRM4 P08173 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
REV1 Q9UBZ9 1/20 0.46

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
SCHEMBL19266658 0.95 HRH3 (0.54) HRH3PRMT5WDR77OGAFFAR1
SCHEMBL30509641 0.91 HRH3 (0.50) HRH3PRMT5WDR77MEN1KMT2A
SCHEMBL21171660 0.87 FFAR1 (0.55) HRH3PRMT5WDR77FFAR1MEN1
SCHEMBL5128317 0.87 HRH3 (0.60) HRH3PRMT5WDR77OGAL3MBTL1
SCHEMBL5130916 0.86 REV1 (0.65) HRH3KMT2AS1PR1S1PR5NPC1
SCHEMBL5128313 0.83 OGA (0.55) HRH3PRMT5WDR77OGAMEN1
SCHEMBL28438815 0.82 FFAR1 (0.52) HRH3PRMT5WDR77FFAR1MEN1
SCHEMBL28438813 0.82 FFAR1 (0.52) HRH3PRMT5WDR77FFAR1MEN1
SCHEMBL28499629 0.82 FFAR1 (0.76) FFAR1
SCHEMBL17455235 0.82 FFAR1 (0.76) FFAR1

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 HRH3 88/4885PRMT5 242/4885WDR77 1025/4885

“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.