SCHEMBL5127400

SCHEMBL5127400

COc1cc2c(cc1OC)CN(C(=O)c1cccc(Cc3ccccc3)c1)CC2

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 2/20 0.67
MAPK1 P28482 1/20 0.65
NPC1 O15118 2/20 0.65
PDE4B Q07343 3/20 0.62
KDM4E B2RXH2 1/20 0.61
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MAPT P10636 2/20 0.60
ALDH1A1 P00352 1/20 0.60
MDM2 Q00987 1/20 0.60
LMNA P02545 2/20 0.60
HCRTR2 O43614 4/20 0.59
GPR183 P32249 1/20 0.59
PARP1 P09874 1/20 0.58
RAB9A P51151 1/20 0.57
HCRTR1 O43613 1/20 0.57
THRB P10828 1/20 0.56

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
SCHEMBL7893969 0.87 KMT2A (0.85) KMT2AMEN1MAPK1NPC1PDE4B
SCHEMBL3055130 0.83 PDE4B (0.66) KMT2AMEN1MAPK1NPC1PDE4B
SCHEMBL5125288 0.83 KMT2A (0.68) KMT2AMEN1MAPK1NPC1PDE4B
SCHEMBL16089692 0.82 MAPK1 (0.73) KMT2AMEN1MAPK1NPC1PDE4B
SCHEMBL9416605 0.82 LMNA (0.75) KMT2AMEN1MAPK1NPC1PDE4B
SCHEMBL30914579 0.81 MAPK1 (0.71) KMT2AMEN1MAPK1NPC1PDE4B
SCHEMBL30267843 0.81 PDE4B (0.80) KMT2AMEN1MAPK1NPC1PDE4B
SCHEMBL7894613 0.81 PDE4B (0.80) KMT2AMEN1MAPK1NPC1PDE4B
SCHEMBL30267796 0.81 PDE4B (0.80) KMT2AMEN1MAPK1NPC1PDE4B
SCHEMBL7894615 0.81 MAPK1 (0.71) KMT2AMEN1MAPK1NPC1PDE4B

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 4 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

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 KMT2A 1121/4885MEN1 643/4885MAPK1 3485/4885

“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.