SCHEMBL3320875

SCHEMBL3320875

Cn1cc(CCN)c2cc(N)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.68
ADRB2 P07550 2/20 0.68
HTR2A P28223 2/20 0.65
HTR6 P50406 3/20 0.46
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
NQO2 P16083 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
PRKCI P41743 1/20 0.41
SPR P35270 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HBB P68871 1/20 0.39

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
SCHEMBL14297213 0.85 HTR1D (0.66) HTR1DADRB2HTR2AHTR6HTR1A
SCHEMBL9400590 0.84 ADRB2 (0.49) HTR1DADRB2HTR2AHTR6NQO2
SCHEMBL3323916 0.84 ADRB2 (0.50) HTR1DADRB2HTR2AHTR6NQO2
SCHEMBL3348930 0.84 HTR6 (0.66) HTR1DADRB2HTR2AHTR6HTR1A
SCHEMBL5923660 0.83 ADRB2 (0.64) HTR1DADRB2HTR2AHTR6HTR1A
SCHEMBL21333400 0.83 HTR1D (0.64) HTR1DADRB2HTR2AHTR6HTR1A
SCHEMBL379053 0.83 ADRB2 (0.64) HTR1DADRB2HTR2AHTR6KDM4E
Hydrochloric Acid SCHEMBL7807646 0.83 HTR1D (0.64) HTR1DADRB2HTR2AHTR6HTR1A
SCHEMBL658829 0.83 HTR1D (0.64) HTR1DADRB2HTR2AHTR6HTR1A
Hydrochloric Acid SCHEMBL7681619 0.82 ADRB2 (0.62) HTR1DADRB2HTR2AHTR6KDM4E

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 8 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
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 claimed
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 claimed
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 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100120886-A1 ARYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS HTR6, HTR2A, HTR2C HTR1D 19/4885ADRB2 1596/4885HTR2A 2/4885

“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.