SCHEMBL255454

SCHEMBL255454

C[C@H](N)Cn1ccc2cc(F)c(Cl)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 1.00
HTR2A P28223 17/20 1.00
HTR2B P41595 3/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C9 P11712 1/20 1.00
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL8959606 1.00 HTR2C (1.00) HTR2CHTR2AHTR2BCYP1A2CYP3A4
SCHEMBL8959930 1.00 HTR2C (1.00) HTR2CHTR2AHTR2BCYP1A2CYP3A4
SCHEMBL29368348 1.00 HTR2C (1.00) HTR2CHTR2AHTR2BCYP1A2CYP3A4
SCHEMBL9232946 0.94 HTR2C (1.00) HTR2CHTR2AHTR2BCYP1A2CYP3A4
Fumaric Acid SCHEMBL8959707 0.89 HTR2C (0.79) HTR2CHTR2AHTR2BCYP1A2CYP3A4
Fumaric Acid SCHEMBL8959674 0.89 HTR2C (0.79) HTR2CHTR2AHTR2BCYP1A2CYP3A4
Fumaric Acid SCHEMBL8959555 0.89 HTR2C (0.79) HTR2CHTR2AHTR2BCYP1A2CYP3A4
Fumaric Acid SCHEMBL8959718 0.89 HTR2C (0.79) HTR2CHTR2AHTR2BCYP1A2CYP3A4
Fumaric Acid SCHEMBL8959565 0.89 HTR2C (0.79) HTR2CHTR2AHTR2BCYP1A2CYP3A4
Fumaric Acid SCHEMBL8959682 0.89 HTR2C (0.79) HTR2CHTR2AHTR2BCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014195695-A1 THERAPEUTIC COMBINATIONS CAMBRIDGE ENTERPRISE LIMITED (GB) 2014-12-11 WO claimed
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US claimed
US-20020173511-A1 Serotonergic compositions and methods for treatment of mild cognitive impairment WURTMAN RICHARD J (US) 2002-11-21 US claimed
WO-2002038142-A2 SEROTONERGIC COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 WO claimed
CN-1061341-C 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 2001-01-31 CN claimed
CN-1105988-A 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 1995-08-02 CN claimed
EP-0655440-A2 1-Aminoethylindoles F. HOFFMANN-LA ROCHE AG (CH) 1995-05-31 EP 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
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
US-7208505-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-04-24 US disclosed
US-20020173511-A1 Serotonergic compositions and methods for treatment of mild cognitive impairment WURTMAN RICHARD J (US) 2002-11-21 US disclosed
WO-2002038142-A2 SEROTONERGIC COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 WO disclosed
CN-1061341-C 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 2001-01-31 CN disclosed
US-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
CN-1105988-A 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 1995-08-02 CN disclosed
EP-0655440-A2 1-Aminoethylindoles F. HOFFMANN-LA ROCHE AG (CH) 1995-05-31 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 (3 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-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20240226110-A1 5-HT2C AGONIST FOR USE IN TREATING CONDITIONS ASSOCIATED WITH CENTRAL HYPOVENTILATION HTR2C, HTR5A, HTR1A HTR2C 1/4885HTR2A 5/4885HTR2B 7/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HTR2C 1/4885HTR2A 4/4885HTR2B 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.