SCHEMBL5168955

SCHEMBL5168955

NCC(N)Cc1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
HTR2B P41595 1/20 0.65
TACR1 P25103 2/20 0.54
MC4R P32245 2/20 0.51
MC5R P33032 2/20 0.51
MC3R P41968 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
AKT1 P31749 2/20 0.44
EPHX1 P07099 1/20 0.43
DPP4 P27487 1/20 0.43

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
SCHEMBL3470527 1.00 HTR2A (0.65) HTR2AHTR2CHTR2BTACR1MC4R
SCHEMBL9271615 0.84 LTA4H (0.55) HTR2AHTR2CHTR2BTACR1
SCHEMBL31307723 0.84 LTA4H (0.55) HTR2AHTR2CHTR2BTACR1
SCHEMBL29292157 0.83 HTR2A (0.68) HTR2AHTR2CHTR2BTACR1MC4R
SCHEMBL3936172 0.83 HTR2A (0.62) HTR2AHTR2CHTR2BTACR1MC4R
SCHEMBL1177623 0.83 HTR2A (0.62) HTR2AHTR2CHTR2BTACR1MC4R
SCHEMBL3132304 0.83 HTR2A (0.62) HTR2AHTR2CHTR2BTACR1MC4R
Hydrochloric Acid SCHEMBL6803543 0.83 LTA4H (0.54) HTR2AHTR2CHTR2BTACR1
SCHEMBL4666056 0.80 HTR2A (0.64) HTR2AHTR2CHTR2BTACR1MC4R
SCHEMBL6024130 0.80 HTR2A (0.64) HTR2AHTR2CHTR2BTACR1MC4R

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
US-20180312463-A1 Synthesis of Cyclohexane Carboxamide Derivatives Useful as Sensates in Consumer Products PROCTER & GAMBLE (US) 2018-11-01 US disclosed
EP-3365324-A1 SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS The Procter and Gamble Company (US) 2018-08-29 EP disclosed
WO-2017070418-A1 SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2017-04-27 WO disclosed
US-20170057911-A1 SYNTHESIS OF ARYL CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS PROCTER & GAMBLE (US) 2017-03-02 US disclosed
US-7767388-B2 Method for monitoring the stereoselectivity and relative rate of organic chemical reactions NUTECH VENTURES (US) 2010-08-03 US disclosed
US-7767388-B2 Method for monitoring the stereoselectivity and relative rate of organic chemical reactions NUTECH VENTURES (US) 2010-08-03 US disclosed
EP-0999220-B1 Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH INC (US) 2007-05-02 EP disclosed
US-7094869-B2 Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH, INC. (US) 2006-08-22 US disclosed
US-20060063807-A1 Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH, INC. (US) 2006-03-23 US disclosed
EP-0792289-B1 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES GENENTECH INC (US) 2000-07-12 EP disclosed
US-6034216-A Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH INC. (US) 2000-03-07 US 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-20180312463-A1 Synthesis of Cyclohexane Carboxamide Derivatives Useful as Sensates in Consumer Products SRM, ACMSD, CUTA HTR2A 49/4885HTR2C 108/4885HTR2B 89/4885
US-20060063807-A1 Low molecular weight peptidomimetic growth hormone secretagogues GHSR, GHRHR, IGFBP1 HTR2A 499/4885HTR2C 1298/4885HTR2B 1183/4885
US-20170057911-A1 SYNTHESIS OF ARYL CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS CUTA, ACMSD, SRM HTR2A 50/4885HTR2C 99/4885HTR2B 86/4885

“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.