SCHEMBL2847183

SCHEMBL2847183

NCCc1cn(C(N)=O)c2cc[c]cc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR6 P50406 10/20 0.33
HTR1D P28221 3/20 0.31
HTR1A P08908 2/20 0.31
HTR2C P28335 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
HTR1B P28222 1/20 0.31
HTR7 P34969 1/20 0.31
HTR5A P47898 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRB2 P07550 1/20 0.31

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
SCHEMBL3878352 0.89 IL6ST (0.33)
SCHEMBL3103739 0.85 AKR1C3 (0.31)
SCHEMBL3942531 0.84 HTR6 (0.45) HTR6HTR1DHTR1AHTR2CHTR1B
SCHEMBL2841737 0.84 HTR6 (0.36) HTR6
SCHEMBL2838884 0.82 HTR2A (0.32) HTR2A
SCHEMBL627039 0.79 HTR2A (0.57) HTR2AHTR6HTR2CHTR7
Hydrochloric Acid SCHEMBL8648129 0.78 HTR2A (0.55) HTR2AHTR6
SCHEMBL3116935 0.76 TFPI2 (0.34)
SCHEMBL4292568 0.75 HTR6 (0.49) HTR2AHTR6HTR1DHTR1AHTR2C
SCHEMBL625921 0.74 HTR2A (0.42) HTR2AHTR6HTR1DMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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
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
EP-2114929-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 EP 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

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 HTR2A 2/4885HTR6 1/4885HTR1D 18/4885
US-20100120886-A1 ARYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS HTR6, HTR2A, HTR2C HTR2A 2/4885HTR6 1/4885HTR1D 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.