SCHEMBL3323916

SCHEMBL3323916

CNCCc1cn(C)c2ccc(N)cc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.50
HTR1D P28221 1/20 0.50
HTR2A P28223 1/20 0.46
NQO2 P16083 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
SPR P35270 1/20 0.45
HTR6 P50406 3/20 0.42
GPR84 Q9NQS5 1/20 0.40
SNCA P37840 1/20 0.38
CDK2 P24941 2/20 0.37
PRKCI P41743 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL3320875 0.84 HTR1D (0.68) ADRB2HTR1DHTR2ANQO2MTNR1A
SCHEMBL28847185 0.82 SPR (0.64) ADRB2HTR1DHTR2ANQO2MTNR1A
SCHEMBL14302712 0.82 SNCA (0.53) ADRB2HTR1DNQO2MTNR1AMTNR1B
SCHEMBL3698621 0.82 MPO (0.51) ADRB2HTR1DHTR2ANQO2MTNR1A
SCHEMBL9400590 0.79 ADRB2 (0.49) ADRB2HTR1DHTR2ANQO2MTNR1A
SCHEMBL3348930 0.79 HTR6 (0.66) ADRB2HTR1DHTR2AHTR6
SCHEMBL3257855 0.78 GPR84 (0.68) HTR2AHTR6GPR84MEN1KMT2A
SCHEMBL9597232 0.77 NQO2 (0.43) ADRB2HTR1DHTR2ANQO2MTNR1A
SCHEMBL3355548 0.77 HTR1D (0.48) ADRB2HTR1DHTR2AHTR6
SCHEMBL18509874 0.77 HPGD (0.51) ADRB2HTR1DHTR2ANQO2MTNR1A

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 4 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-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-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 ADRB2 1596/4885HTR1D 19/4885HTR2A 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.