SCHEMBL264626

SCHEMBL264626

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
SCHEMBL6326464 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894042-B2 Methods and pharmaceutical compositions for the treatment of cancer Inserm (Institut National de la Santa et de la Recherche Medicale) (FR) 2021-01-19 US disclosed
US-20190151304-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-05-23 US disclosed
US-20190083508-A1 USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-03-21 US disclosed
US-20130217729-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 US disclosed
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-20120258957-A1 HETEROCYCLIC DERIVATIVES MSD OSS B.V. (NL) 2012-10-11 US disclosed
EP-2504316-A1 HETEROCYLIC COMPOUNDS AS ANTAGONISTS OF THE OREXIN RECEPTORS MSD Oss B.V. (NL) 2012-10-03 EP disclosed
US-20120238602-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES KNUST HENNER (DE) 2012-09-20 US disclosed
US-8202888-B2 Piperidine sulphonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
EP-2303871-B1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
US-20090203736-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
US-20090186920-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-23 US disclosed
US-7501541-B2 Malonamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20080249180-A1 MALONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 US disclosed
US-20050148634-A1 1-N-Aminobenzimidazole derivatives ZERIA PHARMACEUTICAL CO., LTD (JP) 2005-07-07 US disclosed
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 (13 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-20090203736-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES HCRTR2, PER2, HCRTR1 HCRTR2 1/4885HCRTR1 3/4885MEN1 2182/4885
US-20120238602-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES HCRTR2, PER2, HCRTR1 HCRTR2 1/4885HCRTR1 3/4885MEN1 2182/4885
US-20040044031-A1 N-acyltetrahydroisoquinoline derivatives HCRTR2, HCRTR1, OPRL1 HCRTR2 1/4885HCRTR1 2/4885MEN1 3009/4885
US-20190151304-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY HCRTR1, HCRTR2, OXTR HCRTR2 2/4885HCRTR1 1/4885MEN1 2483/4885
US-20090186920-A1 SULFONAMIDES AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPSR1 HCRTR2 1/4885HCRTR1 2/4885MEN1 1776/4885
US-20120258957-A1 HETEROCYCLIC DERIVATIVES HCRTR2, HCRTR1, NPY5R HCRTR2 1/4885HCRTR1 2/4885MEN1 754/4885
US-10894042-B2 Methods and pharmaceutical compositions for the treatment of cancer OXTR, OGFR, OXGR1 HCRTR2 14/4885HCRTR1 18/4885MEN1 1980/4885
US-20050148634-A1 1-N-Aminobenzimidazole derivatives CYP1B1, CYP2E1, CYP1A1 HCRTR2 4425/4885HCRTR1 4010/4885MEN1 4155/4885
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 HCRTR2 1/4885HCRTR1 2/4885MEN1 1019/4885
US-20080249180-A1 MALONAMIDES AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, MTNR1B HCRTR2 1/4885HCRTR1 2/4885MEN1 453/4885
US-20190083508-A1 USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES GPR180, OXGR1, MLNR HCRTR2 17/4885HCRTR1 22/4885MEN1 4617/4885
US-20130217729-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES HCRTR2, PER2, HCRTR1 HCRTR2 1/4885HCRTR1 3/4885MEN1 2182/4885
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A HCRTR2 1/4885HCRTR1 2/4885MEN1 776/4885

“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.