SCHEMBL29271

SCHEMBL29271

[c]1[nH]nnc1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
SORT1 Q99523 1/20 0.38
TAAR1 Q96RJ0 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CDK2 P24941 1/20 0.36
HPGD P15428 2/20 0.35

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
SCHEMBL15323022 0.69 CALM1 (0.61) CALM1TAAR1ALDH1A1HRH3TSHR
SCHEMBL3924743 0.65 CALM1 (0.42) CALM1TAAR1ALDH1A1HRH3TSHR
SCHEMBL1086378 0.65 CALM1 (0.42) CALM1SORT1TAAR1ALDH1A1HRH3
SCHEMBL489367 0.65 CALM1 (0.42) CALM1TAAR1ALDH1A1TSHRLMNA
SCHEMBL325246 0.65 CALM1 (0.42) CALM1SORT1TAAR1ALDH1A1HRH3
SCHEMBL7765645 0.65 TAAR1 (0.44) CALM1TAAR1ALDH1A1TSHRLMNA
Diphenylmethane SCHEMBL14763944 0.65 CALM1 (1.00) CALM1ALDH1A1TSHRLMNAHPGD
Diphenylmethane SCHEMBL4361124 0.65 CALM1 (1.00) CALM1ALDH1A1TSHRLMNAHPGD
Diphenylmethane SCHEMBL3792579 0.65 CALM1 (1.00) CALM1ALDH1A1TSHRLMNAHPGD
Diphenylmethane SCHEMBL1303 0.65 CALM1 (1.00) CALM1ALDH1A1TSHRLMNAHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018102885-A1 MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2018-06-14 WO disclosed
EP-2751095-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF Sanford-Burnham Medical Research Institute (US) 2014-07-09 EP disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP disclosed
WO-2013033246-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF BRAINCELLS, INC. (US) 2013-03-07 WO disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 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 (2 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 CALM1 3622/4885SORT1 4021/4885TAAR1 2864/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 CALM1 3694/4885SORT1 3946/4885TAAR1 2958/4885

“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.