SCHEMBL14985014

SCHEMBL14985014

CNc1ccc(OC)c(OCCN(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.50
MCHR1 Q99705 1/20 0.50
UTS2R Q9UKP6 3/20 0.48
HTR2A P28223 4/20 0.45
HTR2C P28335 3/20 0.45
KDM4E B2RXH2 2/20 0.44
HTR2B P41595 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 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
SCHEMBL14984920 0.92 CYP1A2 (0.47) HTR7MCHR1UTS2RBCHEACHE
SCHEMBL12844811 0.85 UTS2R (0.52) HTR7MCHR1UTS2RHTR2AHTR2C
SCHEMBL6924378 0.84 MCHR1 (0.54) MCHR1HTR2C
SCHEMBL12403801 0.84 KDM4E (0.48) HTR7MCHR1UTS2RHTR2AHTR2C
SCHEMBL21102892 0.81 KDR (0.52) UTS2RKDM4EACHEHRH3ALDH1A1
SCHEMBL14984900 0.81 TUBB1 (0.52) HTR2CKDM4EHTR2BALDH1A1MEN1
SCHEMBL7755432 0.80 UTS2R (0.48) HTR7MCHR1UTS2RHTR2AHTR2C
SCHEMBL14984928 0.79 TUBB1 (0.54) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6811201 0.79 MCHR1 (0.58) MCHR1BCHEACHEDRD2DRD3
SCHEMBL8351005 0.79 ACHE (0.57) HTR7HTR2AHTR2CKDM4EHTR2B

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
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2014-11-20 US disclosed
US-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2013-05-30 US disclosed
US-8309548-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2012-11-13 US disclosed
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-07-28 US disclosed
US-7906529-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2011-03-15 US disclosed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 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 (4 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-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 HTR7 915/4885MCHR1 2576/4885UTS2R 792/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 HTR7 915/4885MCHR1 2576/4885UTS2R 792/4885
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 HTR7 915/4885MCHR1 2576/4885UTS2R 792/4885
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 HTR7 915/4885MCHR1 2576/4885UTS2R 792/4885

“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.