SCHEMBL4043835

SCHEMBL4043835

CN(C)CCn1ccc2cccc(N)c21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.57
HTR2A P28223 4/20 0.57
HTR1D P28221 3/20 0.47
HEXA P06865 1/20 0.42
HEXB P07686 1/20 0.42
CYP2D6 P10635 1/20 0.41
FTO Q9C0B1 1/20 0.41
HTR6 P50406 6/20 0.40
EGFR P00533 1/20 0.39
NR1I2 O75469 1/20 0.37
POLB P06746 1/20 0.37
AHR P35869 1/20 0.37
RAD52 P43351 1/20 0.37
RCE1 Q9Y256 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37

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
SCHEMBL24746655 0.82 HTR2C (0.58) HTR2CHTR2AHTR1DHEXAHEXB
SCHEMBL24746489 0.81 HTR2C (0.59) HTR2CHTR2AHTR1DHEXAHEXB
SCHEMBL23956119 0.81 HTR2C (0.57) HTR2CHTR2AHTR1DHEXAHEXB
SCHEMBL23927911 0.78 HTR2C (0.54) HTR2CHTR2AHTR1DHEXAHEXB
SCHEMBL24130695 0.78 CYP19A1 (0.39) HTR2CHTR2AHTR6
SCHEMBL337413 0.74 HTR2C (0.68) HTR2CHTR2AHTR1DHTR6
SCHEMBL4060777 0.73 HTR2C (1.00) HTR2CHTR2AHTR1DHTR6
SCHEMBL23927820 0.72 HTR2A (0.50) HTR2CHTR2AHTR1DHTR6
SCHEMBL2866149 0.72 KDM4E (0.41) POLB
SCHEMBL30847966 0.71 PRKCI (0.39) HTR2CHTR2A

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-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 US disclosed
EP-1648444-B1 INDOL-7 SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS ESTEVE LABOR DR (ES) 2009-06-03 EP disclosed
EP-1648468-B1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY ESTEVE LABOR DR (ES) 2008-09-24 EP disclosed
US-7414070-B2 Indol-7-YL sulfonamide derivatives, their preparation and their use in pharmaceutical compositions LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-08-19 US disclosed
US-20070185207-A1 Indol-7 sulfonamide derivatives, their preparation and their use 5-ht-6 as modulators LABORATORIOS DEL DR ESTEVE S.A (ES) 2007-08-09 US disclosed
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-03-15 US disclosed
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-11 US disclosed
CN-1832739-A Indol-7 sulfonamide derivatives, their preparation and their use 5-ht-6 as modulators ESTEVE LABOR DR (ES) 2006-09-13 CN 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 (4 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-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R HTR2C 23/4885HTR2A 18/4885HTR1D 50/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R HTR2C 23/4885HTR2A 18/4885HTR1D 50/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R HTR2C 32/4885HTR2A 19/4885HTR1D 69/4885
US-20070185207-A1 Indol-7 sulfonamide derivatives, their preparation and their use 5-ht-6 as modulators HTR6, HTR7, TPH1 HTR2C 7/4885HTR2A 14/4885HTR1D 16/4885

“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.