SCHEMBL2036331

SCHEMBL2036331

CCN(CC)CCn1ccc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.70
HTR2C P28335 1/20 0.70
CDK4 P11802 4/20 0.63
CCND1 P24385 4/20 0.63
HTR6 P50406 2/20 0.54
SCN9A Q15858 1/20 0.50
MAPK1 P28482 2/20 0.49
HTR1D P28221 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.48
SMPD1 P17405 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL4060777 0.82 HTR2C (1.00) HTR2AHTR2CCDK4CCND1HTR6
SCHEMBL29372496 0.80 CDK4 (0.76) HTR2AHTR2CCDK4CCND1HTR6
SCHEMBL3595410 0.80 CDK4 (0.76) HTR2AHTR2CCDK4CCND1HTR6
SCHEMBL11366447 0.79 CDK4 (1.00) HTR2AHTR2CCDK4CCND1HTR6
SCHEMBL3393613 0.79 HTR2A (0.59) HTR2AHTR2CCDK4CCND1MAPK1
SCHEMBL7745745 0.78 PKM (0.57) HTR2AHTR2CMAPK1HTTLMNA
Iodide SCHEMBL2581030 0.78 CDK4 (0.73) HTR2AHTR2CCDK4CCND1HTR6
SCHEMBL4007913 0.78 SCN9A (0.55) HTR2AHTR2CHTR6SCN9AMAPK1
SCHEMBL7256513 0.78 HTR7 (0.51) HTR2AHTR2CHTR6SCN9AHTR1D
SCHEMBL3935119 0.78 SCN9A (0.55) HTR2AHTR2CCDK4CCND1HTR6

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
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
CN-100558355-C Indole-5 sulfamide derivative and preparation and its purposes as the 5-HT-6 regulator ESTEVE LABOR DR (ES) 2009-11-11 CN disclosed
CN-1832740-A Indol-5 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 (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-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 HTR2A 32/4885HTR2C 52/4885CDK4 2608/4885

“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.