SCHEMBL13019290

SCHEMBL13019290

CC(C)c1cccc2c1CC=N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRB2 P47870 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
FAAH O00519 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
GABRB1 P18505 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
HTR2B P41595 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL12043383 0.75 ALDH1A1 (0.34) CYP1A2CA1CA2TSHR
SCHEMBL24680603 0.72
SCHEMBL10614777 0.71 BCL2L1 (0.38) LMNACYP3A4CA1CA2HPGD
SCHEMBL17260623 0.71 ACHE (0.36) LMNACYP1A2CYP3A4TSHRHTR2C
SCHEMBL16076644 0.71 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL18032672 0.70
SCHEMBL21367324 0.69 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL9924224 0.68 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL22966383 0.67 HTR2A (0.35) HTR2CHTR2B
SCHEMBL15077039 0.63 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3408268-B1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-08-04 EP disclosed
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-02-08 US disclosed
US-9796706-B2 Inhibitors of Jun N-terminal kinase IMAGO PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2017-04-20 US disclosed
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2015-09-17 US disclosed
US-9073891-B2 Inhibitors of Jun N-terminal kinase IMAGO PHARMACEUTICALS, INC. (US) 2015-07-07 US disclosed
US-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-08 US disclosed
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARMACEUTICALS, INC. 2013-03-21 US disclosed
US-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2012-04-19 US disclosed
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase ELAN PHARMACETICALS, INC. 2010-12-30 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 (7 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-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME HDAC1, HDAC9, HDAC8 GABRA1 2049/4885GABRG2 2062/4885GABRB3 1866/4885
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 GABRA1 3842/4885GABRG2 3325/4885GABRB3 3381/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 GABRA1 3842/4885GABRG2 3325/4885GABRB3 3381/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 GABRA1 3842/4885GABRG2 3325/4885GABRB3 3381/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 GABRA1 3842/4885GABRG2 3325/4885GABRB3 3381/4885
US-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF SLC1A2, B4GALT1, SLC6A1 GABRA1 68/4885GABRG2 189/4885GABRB3 171/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 GABRA1 3842/4885GABRG2 3325/4885GABRB3 3381/4885

“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.