SCHEMBL14235263

SCHEMBL14235263

COc1ccc2c(c1)CCN1Cc3cc(OC)c(OC)cc3C[C@@H]21

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.75
DRD1 P21728 10/20 0.74
DRD2 P14416 10/20 0.74
DRD5 P21918 2/20 0.74
DRD3 P35462 2/20 0.74
DRD4 P21917 1/20 0.74
HTR1A P08908 1/20 0.65

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
SCHEMBL14234709 1.00 RAD52 (0.75) RAD52DRD1DRD2DRD5DRD3
SCHEMBL16627062 0.92 DRD2 (0.83) RAD52DRD1DRD2DRD5DRD3
SCHEMBL13430574 0.92 DRD2 (0.83) RAD52DRD1DRD2DRD5DRD3
SCHEMBL16627009 0.92 DRD2 (0.83) RAD52DRD1DRD2DRD5DRD3
SCHEMBL14235135 0.91 DRD1 (0.82) RAD52DRD1DRD2DRD5DRD3
SCHEMBL22137420 0.91 RAD52 (0.78) RAD52DRD1DRD2DRD5DRD3
Xylopinine SCHEMBL24696331 0.86 RAD52 (1.00) RAD52DRD1DRD2DRD5DRD3
Xylopinine SCHEMBL30473255 0.86 RAD52 (1.00) RAD52DRD1DRD2DRD5DRD3
Xylopinine SCHEMBL9011855 0.86 RAD52 (1.00) RAD52DRD1DRD2DRD5DRD3
Xylopinine SCHEMBL29999174 0.86 RAD52 (1.00) RAD52DRD1DRD2DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9737517-B2 Pharmaceutical use of hexahydro-dibenzo[a,g]quinolizine compounds SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-08-22 US disclosed
US-9737517-B2 Pharmaceutical use of hexahydro-dibenzo[a,g]quinolizine compounds SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-08-22 US disclosed
US-20160193195-A1 PHARMACEUTICAL USE OF HEXAHYDRO-DIBENZO[A,G]QUINOLIZINE COMPOUNDS SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-07-07 US disclosed
US-20160193195-A1 PHARMACEUTICAL USE OF HEXAHYDRO-DIBENZO[A,G]QUINOLIZINE COMPOUNDS SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-07-07 US disclosed
US-9359372-B2 Hexahydrodibenzo[a,g]quinolizine compound, preparation method thereof, pharmaceutical composition and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-06-07 US disclosed
US-9359372-B2 Hexahydrodibenzo[a,g]quinolizine compound, preparation method thereof, pharmaceutical composition and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-06-07 US disclosed
EP-2992883-A1 PHARMACEUTICAL USE OF HEXAHYDRO-DIBENZO[A,G]QUINOLIZINE COMPOUNDS Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2016-03-09 EP disclosed
US-20150210711-A1 HEXAHYDRODIBENZO[A,G]QUINOLIZINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INST MATERIA MEDICA (CN) 2015-07-30 US disclosed
US-20150210711-A1 HEXAHYDRODIBENZO[A,G]QUINOLIZINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INST MATERIA MEDICA (CN) 2015-07-30 US disclosed
US-20140088130-A1 HEXAHYDRODIBENZO[A,G]QUINOLIZINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2014-03-27 US disclosed
US-20140088130-A1 HEXAHYDRODIBENZO[A,G]QUINOLIZINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2014-03-27 US disclosed
US-20140088130-A1 HEXAHYDRODIBENZO[A,G]QUINOLIZINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2014-03-27 US disclosed
WO-2012163179-A1 HEXAHYDRODIBENZO[A,G]QUINOLIZINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 (CN) 2012-12-06 WO 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-20140088130-A1 HEXAHYDRODIBENZO[A,G]QUINOLIZINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF HTR5A, HTR1A, HTR2C RAD52 3502/4885DRD1 27/4885DRD2 16/4885
US-20160193195-A1 PHARMACEUTICAL USE OF HEXAHYDRO-DIBENZO[A,G]QUINOLIZINE COMPOUNDS BPHL, QDPR, NQO2 RAD52 2471/4885DRD1 780/4885DRD2 1049/4885
US-20150210711-A1 HEXAHYDRODIBENZO[A,G]QUINOLIZINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF HTR5A, HTR1A, HTR2C RAD52 3502/4885DRD1 27/4885DRD2 16/4885

“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.