SCHEMBL6326967

SCHEMBL6326967

COc1cc2c(cc1OC)CN(C(=O)C(Cc1ccccc1)NC(=O)Oc1cc(Cl)cc(Cl)c1)CC2

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.79
HCRTR1 O43613 7/20 0.79
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GPR183 P32249 1/20 0.51
THRB P10828 1/20 0.48

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
SCHEMBL7086630 0.88 HCRTR2 (1.00) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL6332961 0.87 HCRTR2 (0.70) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL6428456 0.84 HCRTR2 (0.76) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL6325198 0.83 HCRTR2 (1.00) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL6324543 0.83 HCRTR2 (0.75) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL18766747 0.77 HCRTR2 (0.70) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL6324675 0.76 HCRTR2 (0.76) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL6326677 0.76 HCRTR2 (0.76) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL6326918 0.76 HCRTR2 (0.76) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL5022449 0.74 HCRTR2 (0.66) HCRTR2HCRTR1KMT2ANPC1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838465-B2 N-acyltetrahydroisoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-04 US disclosed
US-20040044031-A1 N-acyltetrahydroisoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 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-20040044031-A1 N-acyltetrahydroisoquinoline derivatives HCRTR2, HCRTR1, OPRL1 HCRTR2 1/4885HCRTR1 2/4885KMT2A 677/4885

“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.