SCHEMBL3110702

SCHEMBL3110702

CC1CC[C]c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
NOTUM Q6P988 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PDPK1 O15530 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
SCHEMBL30130746 0.73 HTR2C (0.40) HTR2CNOS3NOS1NOS2HTR2A
SCHEMBL4972049 0.73 HTR2C (0.40) HTR2CNOS3NOS1NOS2HTR2A
SCHEMBL10474594 0.67
SCHEMBL1162920 0.67
SCHEMBL20863923 0.65 ACHE (0.44) HTR2CNOS3NOS1NOS2HTR2A
SCHEMBL15147096 0.64 HTR2A (0.57) HTR2CHTR2AHTR2BPDPK1
SCHEMBL186363 0.64 HTR2A (0.57) HTR2CHTR2AHTR2BPDPK1
SCHEMBL217130 0.64 HTR2A (0.31) HTR2A
SCHEMBL3543729 0.63 TSHR (0.32)
SCHEMBL30298332 0.63 ALDH1A1 (0.43) HTR2CNOS3NOS1NOS2HTR2A

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
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 US disclosed
US-7737167-B2 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2010-06-15 US disclosed
EP-2060563-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-05-20 EP disclosed
US-20090082394-A1 Tetrahydroisoquinoline Derivatives to Enhance Memory Function ACTELION PHARMACEUTICALS, LTD. (CH) 2009-03-26 US disclosed
EP-1998774-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION Actelion Pharmaceuticals Ltd. (CH) 2008-12-10 EP disclosed
EP-1776348-B1 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH AS (DK) 2008-05-28 EP disclosed
WO-2007105177-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 WO disclosed
US-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2007-08-23 US disclosed
EP-1776348-A2 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2007-04-25 EP disclosed
WO-2006013210-A2 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2006-02-09 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 (3 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-20090082394-A1 Tetrahydroisoquinoline Derivatives to Enhance Memory Function GRIN2A, BDNF, GRIN2C HTR2C 88/4885NOS3 398/4885NOS1 382/4885
US-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels KCNN2, KCNN1, KCNN3 HTR2C 1075/4885NOS3 2471/4885NOS1 3068/4885
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE HRH2, HRH1, HRH4 HTR2C 173/4885NOS3 310/4885NOS1 256/4885

“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.