SCHEMBL4580390

SCHEMBL4580390

OC(COc1ccccc1)CN1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 1.00
TSHR P16473 2/20 1.00
HIF1A Q16665 1/20 1.00
KDM4E B2RXH2 2/20 0.97
ATM Q13315 1/20 0.84
L3MBTL1 Q9Y468 1/20 0.82
CYP2C19 P33261 1/20 0.82
ACE2 Q9BYF1 1/20 0.80
RAB9A P51151 1/20 0.79
HSD17B10 Q99714 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.77
ABCB1 P08183 4/20 0.75
POLB P06746 1/20 0.73
MAPK1 P28482 1/20 0.72
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
DRD2 P14416 2/20 0.68
DRD4 P21917 2/20 0.68
DRD3 P35462 2/20 0.68

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
Hydrochloric Acid SCHEMBL11279111 0.98 CYP2D6 (0.97) CYP2D6TSHRHIF1AKDM4EATM
SCHEMBL11537591 0.98 KDM4E (1.00) CYP2D6TSHRHIF1AKDM4EATM
SCHEMBL25010832 0.98 KDM4E (1.00) CYP2D6TSHRHIF1AKDM4EATM
SCHEMBL25010831 0.98 KDM4E (1.00) CYP2D6TSHRHIF1AKDM4EATM
SCHEMBL4577971 0.92 L3MBTL1 (0.97) CYP2D6TSHRHIF1AKDM4EATM
SCHEMBL11240406 0.92 L3MBTL1 (0.97) CYP2D6TSHRHIF1AKDM4EATM
SCHEMBL3970369 0.92 L3MBTL1 (0.97) CYP2D6TSHRHIF1AKDM4EATM
SCHEMBL22875771 0.89 ACE2 (1.00) CYP2D6TSHRHIF1AKDM4EATM
SCHEMBL31537006 0.89 ACE2 (1.00) CYP2D6TSHRHIF1AKDM4EATM
SCHEMBL31537007 0.89 ACE2 (1.00) CYP2D6TSHRHIF1AKDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664798-B1 NON-PEPTIDE AGONISTS AND ANTAGONISTS OF ADRENOMEDULLIN AND GASTRIN RELEASING PEPTIDE US GOV HEALTH & HUMAN SERV (US) 2013-05-22 EP disclosed
US-20120232107-A1 NON-PEPTIDE ANTAGONISTS OF GASTRIN RELEASING PEPTIDE THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH 2012-09-13 US disclosed
US-20120232107-A1 NON-PEPTIDE ANTAGONISTS OF GASTRIN RELEASING PEPTIDE THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH 2012-09-13 US disclosed
EP-2339351-A1 Non-peptide agonists and antagonists of adrenomedullin and gastrin releasing peptide The Government of the United States of America as represented by the Secretary of the Department of Health and Human Services (US) 2011-06-29 EP disclosed
US-20080249115-A1 small molecule, non-peptide, modulators (e.g., antagonists or agonists) of peptide hormones; treating low blood pressure or an eating disorder THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS (US) 2008-10-09 US disclosed
US-20080249115-A1 small molecule, non-peptide, modulators (e.g., antagonists or agonists) of peptide hormones; treating low blood pressure or an eating disorder THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS (US) 2008-10-09 US disclosed
EP-1298490-B1 Photopolymerizable composition and recording material FUJIFILM CORP (JP) 2008-08-13 EP disclosed
US-7399569-B2 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJIFILM CORPORATION (JP) 2008-07-15 US disclosed
US-7220529-B2 Photopolymerizable composition and recording material using the same FUJIFILM CORPORATION (JP) 2007-05-22 US disclosed
US-7205083-B2 Recording material FUJIFILM CORPORATION (JP) 2007-04-17 US disclosed
US-6017672-A MIXTURE OF DIAZONIUM SALT HAVING ABSORPTION WAVELENGTH SHORTER THAN 350 NANOMETERS AND A THERMALLY REACTIVE COUPLER CONTAINED WITHIN RECORDING LAYER COATED ONTO SUPPORT; STORAGE STABILITY, PHOTOSTABILITY, HIGH COLOR DENSITY FUJI PHOTO FILM CO., LTD. (JP) 2000-01-25 US disclosed
US-5935757-A HIGH COLOR DEVELOPING SENSITIVITY AND EXCELLENT STORABILITY. USING AN ESTER- OR AMIDE CONTAINING SULFOAMIDOBENZENE IN A LAYER CONTAINING A DIAZONIUM SALT AND A REACTIVE COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1999-08-10 US disclosed
EP-0930529-A1 Heat-sensitive recording material Fuji Photo Film., Ltd. (JP) 1999-07-21 EP disclosed
US-5925489-A CONTAINING DIAZONIUM SALT AND PYRROLOPYRIMIDINE COUPLER WHICH REACT WHEN HEATED TO DEVELOP VIOLET TO CYAN COLORS, IMAGE QUALITY AND STABILITY, SHELF LIFE FUJI PHOTO FILM CO., LTD. (JP) 1999-07-20 US disclosed
US-5866293-A CONTAINING DIAZO COMPOUND AND PYRAZOLONE COUPLER; STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1999-02-02 US disclosed
EP-0809145-A1 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1997-11-26 EP disclosed
US-5543260-A RED COLOR; STORAGE STABILITY; COLORFASTNESS FUJI PHOTO FILM CO., LTD. (JP) 1996-08-06 US disclosed
US-5213939-A Having recording layer containing 1-disubstituted amino-3-alkoxybenzene-4-diazonnium salt, cyclohexanone derivative as coupling compound and organic base, storage stable, magenta color, low temperature development FUJI PHOTO FILM CO., LTD. (JP) 1993-05-25 US disclosed
US-4170653-A Antidepressant naphthyloxy piperidino and pyrrolidino propanol ethers Ayerst McKenna and Harrison Limited (CA) 1979-10-09 US disclosed
US-4060613-A ANTIDEPRESSANT AYERST MCKENNA AND HARRISON LTD. (CA) 1977-11-29 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 (2 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-20120232107-A1 NON-PEPTIDE ANTAGONISTS OF GASTRIN RELEASING PEPTIDE GRPR, GIPR, CCKBR CYP2D6 4659/4885TSHR 189/4885HIF1A 2399/4885
US-20080249115-A1 small molecule, non-peptide, modulators (e.g., antagonists or agonists) of peptide hormones; treating low blood pressure or an eating disorder GIPR, GRPR, CRH CYP2D6 4799/4885TSHR 301/4885HIF1A 2859/4885

“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.