SCHEMBL5128540

SCHEMBL5128540

CC(c1cccc(Oc2ccccc2)c1)N1CCc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.55
PTGS1 P23219 1/20 0.46
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
FAAH O00519 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2D6 P10635 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
MC4R P32245 1/20 0.41
CARM1 Q86X55 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
SCHEMBL5128323 0.93 OGA (0.51) OGAPRMT5WDR77FAAHALDH1A1
SCHEMBL5120634 0.92 OGA (0.50) OGAPTGS1PRMT5WDR77FAAH
SCHEMBL5132002 0.90 OGA (0.48) OGAPTGS1PRMT5WDR77FAAH
SCHEMBL5126941 0.88 OGA (0.49) OGAPRMT5WDR77ALDH1A1TP53
SCHEMBL15131063 0.88 OGA (0.56) OGAPRMT5WDR77ALDH1A1TP53
SCHEMBL5128313 0.88 OGA (0.55) OGAPRMT5WDR77FAAHALDH1A1
SCHEMBL5131986 0.87 KDM4E (0.47) OGAFAAHALDH1A1TSHRHSD17B10
SCHEMBL5128317 0.84 HRH3 (0.60) OGAPRMT5WDR77CYP2D6CARM1
SCHEMBL5120695 0.81 ACHE (0.45) ALDH1A1TSHRHSD17B10
SCHEMBL5121371 0.78 ACHE (0.46) FAAHALDH1A1TSHRHSD17B10

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 OGA 4569/4885PTGS1 4092/4885PRMT5 242/4885

“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.