SCHEMBL6326464

SCHEMBL6326464

COc1cc2c(cc1OC)CN(C(=O)[C@H](NCc1ccncc1)C(C)(C)C)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 17/20 1.00
HCRTR1 O43613 7/20 0.82
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL264626 1.00 HCRTR2 (1.00) HCRTR2HCRTR1MEN1KMT2AKDM4E
SCHEMBL30417508 1.00 HCRTR2 (1.00) HCRTR2HCRTR1MEN1KMT2AKDM4E
SCHEMBL12978652 1.00 HCRTR2 (1.00) HCRTR2HCRTR1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL15544842 0.99 HCRTR2 (0.98) HCRTR2HCRTR1MEN1KMT2AKDM4E
SCHEMBL6333557 0.90 HCRTR2 (1.00) HCRTR2HCRTR1KMT2AKDM4EALDH1A1
SCHEMBL6328598 0.84 HCRTR2 (0.81) HCRTR2HCRTR1
SCHEMBL6978577 0.82 HCRTR2 (0.72) HCRTR2HCRTR1
SCHEMBL6327967 0.82 HCRTR2 (1.00) HCRTR2HCRTR1MEN1KMT2AKDM4E
SCHEMBL6333854 0.82 HCRTR2 (0.71) HCRTR2HCRTR1KDM4EALDH1A1TSHR
SCHEMBL6331702 0.82 HCRTR2 (0.71) HCRTR2HCRTR1KDM4EALDH1A1TSHR

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 3 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
EP-1288202-A1 N-ACYLTETRAHYDROISOQUINOLINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-05 EP 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 2/4885MEN1 3009/4885

“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.