SCHEMBL5128323

SCHEMBL5128323

COc1ccc(Oc2cccc(C(C)N3CCc4ccccc4C3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.51
HPGD P15428 5/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 3/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.46
DRD1 P21728 4/20 0.45
DRD5 P21918 4/20 0.45
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
FAAH O00519 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MPI P34949 1/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 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
SCHEMBL5128540 0.93 OGA (0.55) OGAHPGDALDH1A1TP53LMNA
SCHEMBL15131063 0.91 OGA (0.56) OGAHPGDALDH1A1TP53LMNA
SCHEMBL5120634 0.89 OGA (0.50) OGAHPGDALDH1A1TP53LMNA
SCHEMBL5120695 0.88 ACHE (0.45) ALDH1A1TSHRHSD17B10KDM4EMAPT
SCHEMBL5132002 0.87 OGA (0.48) OGAHPGDALDH1A1TP53LMNA
SCHEMBL5126941 0.86 OGA (0.49) OGAHPGDALDH1A1TP53LMNA
SCHEMBL5131986 0.85 KDM4E (0.47) OGAALDH1A1TSHRHSD17B10FAAH
SCHEMBL5128313 0.83 OGA (0.55) OGAHPGDALDH1A1LMNATSHR
SCHEMBL5121371 0.81 ACHE (0.46) ALDH1A1TSHRHSD17B10FAAHKDM4E
SCHEMBL5128220 0.79 ACHE (0.42) ALDH1A1TSHRHSD17B10FAAHKDM4E

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 4569/4885HPGD 972/4885ALDH1A1 2248/4885

“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.