SCHEMBL7674586

SCHEMBL7674586

C[C@H](N)CN1CCc2ccc(Br)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 1.00
HTR2C P28335 13/20 1.00
HTR2B P41595 11/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
NFKB1 P19838 1/20 1.00
HIF1A Q16665 1/20 1.00
LMNA P02545 1/20 0.81
PMP22 Q01453 1/20 0.81
NPSR1 Q6W5P4 1/20 0.81
GFER P55789 1/20 0.81
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAP3K14 Q99558 1/20 0.41
XIAP P98170 1/20 0.40
BIRC2 Q13490 1/20 0.40
HSD17B3 P37058 1/20 0.40

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
SCHEMBL905755 1.00 HTR2A (1.00) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL29462310 1.00 HTR2A (1.00) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL905861 0.83 HTR2A (0.71) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL905975 0.82 HTR2A (1.00) HTR2AHTR2CHTR2BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7672904 0.81 HTR2A (0.97) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL906050 0.79 HTR2C (0.66) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL905758 0.79 HTR2A (1.00) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL28370234 0.79 HTR2A (0.65) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL905791 0.78 HTR2A (0.78) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL905806 0.78 HTR2A (0.64) HTR2AHTR2CHTR2BCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
WO-2014195695-A1 THERAPEUTIC COMBINATIONS CAMBRIDGE ENTERPRISE LIMITED (GB) 2014-12-11 WO claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
US-20240226110-A1 5-HT2C AGONIST FOR USE IN TREATING CONDITIONS ASSOCIATED WITH CENTRAL HYPOVENTILATION APNIMED, INC. (DELAWARE) 2024-07-11 US disclosed
US-20240226110-A1 5-HT2C AGONIST FOR USE IN TREATING CONDITIONS ASSOCIATED WITH CENTRAL HYPOVENTILATION APNIMED, INC. (DELAWARE) 2024-07-11 US disclosed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP disclosed
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
EP-2216023-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-11 EP disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
EP-2018863-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-01-28 EP disclosed
US-20070274913-A1 Preventives/Remedies for Stress Urinary Incontinence and Method of Screening the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-29 US disclosed
US-20070274913-A1 Preventives/Remedies for Stress Urinary Incontinence and Method of Screening the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-29 US disclosed
EP-1792629-A1 PREVENTIVES/REMEDIES FOR STRESS URINARY INCONTINENCE AND METHOD OF SCREENING THE SAME Takeda Pharmaceutical Company Limited (JP) 2007-06-06 EP disclosed
US-6380238-B1 FOR THERAPY OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS, AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-30 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 (4 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-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B HTR2A 4/4885HTR2C 1/4885HTR2B 5/4885
US-20240226110-A1 5-HT2C AGONIST FOR USE IN TREATING CONDITIONS ASSOCIATED WITH CENTRAL HYPOVENTILATION HTR2C, HTR5A, HTR1A HTR2A 5/4885HTR2C 1/4885HTR2B 7/4885
US-20070274913-A1 Preventives/Remedies for Stress Urinary Incontinence and Method of Screening the Same ADRA2C, HTR2C, HTR3A HTR2A 5/4885HTR2C 2/4885HTR2B 15/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HTR2A 4/4885HTR2C 1/4885HTR2B 5/4885

“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.