SCHEMBL1998690

SCHEMBL1998690

CN(CCc1c[nH]c2ccc(N)cc12)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR1D P28221 7/20 0.51
HTR1B P28222 5/20 0.51
HTR1A P08908 4/20 0.47
KMT2A Q03164 1/20 0.47
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
SLC6A4 P31645 1/20 0.46
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR1E P28566 1/20 0.44
HTR1F P30939 1/20 0.44
HTR7 P34969 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
SCHEMBL7867834 0.83 NQO2 (0.56) HTR1DHTR1BHTR1AKMT2AHTR2A
SCHEMBL10582131 0.81 HPGD (0.56) HPGDCYP2C19HTR1DHTR1BHTR1A
SCHEMBL17872003 0.81 CYP2C19 (0.66) HPGDCYP2C19HTR1DHTR1BHTR1A
SCHEMBL6120510 0.78 HPGD (0.54) HPGDCYP2C19HTR1DHTR1BHTR1A
SCHEMBL2544150 0.78 HPGD (0.55) HPGDCYP2C19HTR1AKMT2ACYP1A2
SCHEMBL1121997 0.77 HTR1A (0.68) HPGDCYP2C19HTR1DHTR1BHTR1A
SCHEMBL7860320 0.77 HTR1F (0.50) HTR1DHTR1BHTR1ACDK4CCND1
Hydrochloric Acid SCHEMBL3869535 0.76 HTR1A (0.67) HPGDCYP2C19HTR1DHTR1BHTR1A
Hydrochloric Acid SCHEMBL7970523 0.76 HTR1A (0.67) HPGDCYP2C19HTR1DHTR1BHTR1A
SCHEMBL3194596 0.75 CDK4 (0.43) HTR1DHTR1BCDK4CCND1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960568-B2 Heterocyclyl-substituted sulfonamides for the treatment of cognitive or food ingestion related disorders LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-14 US disclosed
US-7960568-B2 Heterocyclyl-substituted sulfonamides for the treatment of cognitive or food ingestion related disorders LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-14 US disclosed
US-7960568-B2 Heterocyclyl-substituted sulfonamides for the treatment of cognitive or food ingestion related disorders LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-14 US disclosed
US-20100120886-A1 ARYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100120886-A1 ARYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100120886-A1 ARYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100076036-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US disclosed
US-20100076036-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US disclosed
US-20100076036-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US disclosed
EP-2125721-A1 ARYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-12-02 EP disclosed
WO-2008092666-A1 ARYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-08-07 WO disclosed
WO-2008092665-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-08-07 WO disclosed
WO-2008092666-A1 ARYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-08-07 WO disclosed
EP-1953141-A1 Aryl-substituted sulfonamides for the treatment of cognitive or food ingestion related disorders Laboratorios del Dr. Esteve S.A. (ES) 2008-08-06 EP disclosed
EP-1953153-A1 Heterocyclyl-substituted sulfonamides for the treatment of cognitive or food ingestion related disorders Laboratorios del Dr. Esteve S.A. (ES) 2008-08-06 EP disclosed
EP-1953153-A1 Heterocyclyl-substituted sulfonamides for the treatment of cognitive or food ingestion related disorders Laboratorios del Dr. Esteve S.A. (ES) 2008-08-06 EP disclosed
EP-1083918-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE 5-HT RECEPTORS Advanced Medicine, Inc. (US) 2001-03-21 EP disclosed
WO-1999064044-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE 5-HT RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO 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-20100076036-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS HTR6, HTR2A, HTR2C HPGD 1415/4885CYP2C19 335/4885HTR1D 18/4885
US-20100120886-A1 ARYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS HTR6, HTR2A, HTR2C HPGD 2340/4885CYP2C19 356/4885HTR1D 19/4885

“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.