SCHEMBL5132002

SCHEMBL5132002

CC(c1cccc(Oc2ccc(C(C)(C)C)cc2)c1)N1CCc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.48
MOGAT2 Q3SYC2 1/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
GAA P10253 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
FAAH O00519 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5128540 0.90 OGA (0.55) OGATSHRALDH1A1TP53HPGD
SCHEMBL5128323 0.87 OGA (0.51) OGAMAPTTSHRALDH1A1TP53
SCHEMBL5128220 0.87 ACHE (0.42) MOGAT2MAPTTSHRALDH1A1HSD17B10
SCHEMBL5120634 0.86 OGA (0.50) OGATSHRALDH1A1TP53HPGD
SCHEMBL5126941 0.83 OGA (0.49) OGATSHRALDH1A1TP53HPGD
SCHEMBL15131063 0.81 OGA (0.56) OGATSHRALDH1A1TP53HPGD
SCHEMBL5128313 0.81 OGA (0.55) OGAMAPTTSHRALDH1A1HPGD
SCHEMBL5131986 0.77 KDM4E (0.47) OGATSHRALDH1A1HSD17B10FAAH
SCHEMBL5120695 0.76 ACHE (0.45) MAPTTSHRALDH1A1HSD17B10KDM4E
SCHEMBL5128317 0.75 HRH3 (0.60) OGAPRMT5WDR77CARM1

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 4569/4885MOGAT2 3827/4885MAPT 2051/4885

“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.