SCHEMBL2076794

SCHEMBL2076794

[CH2]NCc1cccc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.60
ALDH1A1 P00352 3/20 0.57
CHRM1 P11229 1/20 0.56
CHRM3 P20309 1/20 0.56
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MMP13 P45452 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TAAR1 Q96RJ0 3/20 0.55
IDO1 P14902 2/20 0.55
AGXT P21549 2/20 0.55
ABCB1 P08183 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
HDAC1 Q13547 1/20 0.50

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
SCHEMBL1134127 0.84 CHRM2 (0.74) CHRM2ALDH1A1CHRM1CHRM3HTT
SCHEMBL28763971 0.84 ALDH1A1 (0.47) CHRM2ALDH1A1HTTSMN1; SMN2MMP13
SCHEMBL297410 0.82 CHRM2 (0.68) CHRM2ALDH1A1CHRM1CHRM3HTT
SCHEMBL27962852 0.82 CHRM2 (0.62) CHRM2ALDH1A1CHRM1CHRM3HTT
SCHEMBL7738530 0.82 CHRM2 (0.62) CHRM2ALDH1A1CHRM1CHRM3HTT
Hydrochloric Acid SCHEMBL6122475 0.82 CHRM2 (0.72) CHRM2ALDH1A1CHRM1CHRM3HTT
SCHEMBL29370584 0.82 CHRM2 (0.68) CHRM2ALDH1A1CHRM1CHRM3HTT
SCHEMBL18685365 0.82 CHRM2 (0.62) CHRM2ALDH1A1CHRM1CHRM3HTT
SCHEMBL24097464 0.81 MAPT (0.68) CHRM2ALDH1A1CHRM1CHRM3HTT
SCHEMBL4916089 0.81 CHRM2 (0.81) CHRM2ALDH1A1CHRM1CHRM3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US claimed
CN-101611009-A Quinoline derivatives CHRONOGEN INC (US) 2009-12-23 CN claimed
EP-2079699-A1 QUINOLINE DERIVATIVES Envivo Pharmaceuticals, Inc. (US) 2009-07-22 EP claimed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 US claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 WO claimed
US-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US disclosed
CN-101611009-A Quinoline derivatives CHRONOGEN INC (US) 2009-12-23 CN disclosed
EP-2079699-A1 QUINOLINE DERIVATIVES Envivo Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US disclosed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed
CN-101052620-A Benzamide compound ASTRAZENECA AB (SE) 2007-10-10 CN disclosed
WO-2006024841-A2 BENZAMIDE COMPOUNDS ASTRAZENECA AB (SE) 2006-03-09 WO disclosed
US-5547980-A ANTIALLERGENS, BRONCHODILATOR BOEHRINGER MANNHEIM GMBH (DE) 1996-08-20 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-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ CHRM2 3164/4885ALDH1A1 4404/4885CHRM1 2868/4885
US-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 CHRM2 879/4885ALDH1A1 299/4885CHRM1 747/4885

“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.