SCHEMBL5124444

SCHEMBL5124444

COc1cc2c(cc1OC)CN(Cc1cccc(Oc3ccc(C(C)(C)C)cc3)c1)C(C)C2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
FAAH O00519 2/20 0.42
HCRTR1 O43613 4/20 0.40
HCRTR2 O43614 4/20 0.40
ACHE P22303 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FDFT1 P37268 1/20 0.38

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
SCHEMBL5121535 0.81 DRD2 (0.47) FAAHHCRTR1HCRTR2MEN1KMT2A
SCHEMBL5131977 0.80 REV1 (0.57) FAAHKMT2A
SCHEMBL3050133 0.78 DHCR7 (0.55) CA2CA9ACHEMEN1KMT2A
SCHEMBL3061751 0.78 CHRNA7 (0.51) CA2CA9
SCHEMBL18098775 0.76 CA2 (0.70) CA2CA9ACHEMEN1KMT2A
SCHEMBL5127723 0.75 REV1 (0.54) FAAHKMT2A
SCHEMBL5125860 0.75 REV1 (0.54) FAAHKMT2A
SCHEMBL5128457 0.73 FAAH (0.43) FAAHHCRTR1HCRTR2ACHEMEN1
SCHEMBL3061503 0.72 CHRNA7 (0.52) CA2CA9
SCHEMBL5131159 0.71 REV1 (0.56) KMT2A

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 CA2 4693/4885CA9 4702/4885FAAH 1679/4885

“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.