SCHEMBL9948495

SCHEMBL9948495

CC(=O)c1cc(Cl)ccc1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 7/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
STK39 Q9UEW8 3/20 0.49
PARG Q86W56 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.48
CTNNB1 P35222 1/20 0.47
PTGER4 P35408 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL7861651 0.90 KMT2A (0.55) CYP1A2CYP2C9CYP2C19KMT2ASTK39
SCHEMBL22891351 0.87 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL11354413 0.85 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL28949682 0.84 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL12505440 0.84 CTNNB1 (0.65) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL5554679 0.81 BRD4 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL19524223 0.81 SCN8A (0.56) KMT2AL3MBTL1LMNASMN1; SMN2CTNNB1
SCHEMBL13752348 0.80 KMT2A (0.46) CYP3A4KMT2ALMNAMRGPRX4SMN1; SMN2
SCHEMBL6447800 0.80 TTR (0.56) KMT2AL3MBTL1LMNASTK39MRGPRX4
SCHEMBL2303571 0.80 MAPT (0.60) CYP1A2CYP2C9CYP2C19KMT2AL3MBTL1

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-20230159549-A1 METHOD FOR PREPARATION OF ASENAPINE ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230159549-A1 METHOD FOR PREPARATION OF ASENAPINE ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2023-05-25 US disclosed
EP-4015519-A1 METHOD OF PREPARING ASENAPINE Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2022-06-22 EP disclosed
WO-2021027813-A1 METHOD OF PREPARING ASENAPINE 浙江奥翔药业股份有限公司 2021-02-18 WO disclosed
EP-2468751-B1 Processes for the preparation of 5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole MEDICHEM SA (ES) 2016-03-16 EP disclosed
EP-2468751-B1 Processes for the preparation of 5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole MEDICHEM SA (ES) 2016-03-16 EP disclosed
US-8580972-B2 Processes for the preparation of 5-chloro-2-methyl-2,3,3A,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole MEDICHEM, S.A. (ES) 2013-11-12 US disclosed
US-8580972-B2 Processes for the preparation of 5-chloro-2-methyl-2,3,3A,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole MEDICHEM, S.A. (ES) 2013-11-12 US disclosed
US-8580972-B2 Processes for the preparation of 5-chloro-2-methyl-2,3,3A,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole MEDICHEM, S.A. (ES) 2013-11-12 US disclosed
US-20120165545-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-2-METHYL-2,3,3A,12b-TETRAHYDRO-1H-DIBENZO[2,3:6,7]OXEPINO[4,5-c]PYRROLE MEDICHEM, S.A. (ES) 2012-06-28 US disclosed
US-20120165545-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-2-METHYL-2,3,3A,12b-TETRAHYDRO-1H-DIBENZO[2,3:6,7]OXEPINO[4,5-c]PYRROLE MEDICHEM, S.A. (ES) 2012-06-28 US disclosed
US-20120165545-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-2-METHYL-2,3,3A,12b-TETRAHYDRO-1H-DIBENZO[2,3:6,7]OXEPINO[4,5-c]PYRROLE MEDICHEM, S.A. (ES) 2012-06-28 US disclosed
EP-2468751-A2 Processes for the preparation of 5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole Medichem, S.A. (ES) 2012-06-27 EP disclosed
EP-2468751-A2 Processes for the preparation of 5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole Medichem, S.A. (ES) 2012-06-27 EP disclosed
US-20090209608-A1 DEUTERIUM-ENRICHED ASENAPINE PROTIA, LLC (US) 2009-08-20 US disclosed
US-20090209608-A1 DEUTERIUM-ENRICHED ASENAPINE PROTIA, LLC (US) 2009-08-20 US disclosed
US-4180559-A Coated 1-(2-chlorodibenzo[b,f]oxepin-10-yl)-4-methylpiperazine compositions RICHARDSON-MERRELL INC. (US) 1979-12-25 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 (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-20230159549-A1 METHOD FOR PREPARATION OF ASENAPINE CYP3A5, QDPR, SPR CYP1A2 139/4885CYP3A4 73/4885CYP2C9 106/4885
US-20090209608-A1 DEUTERIUM-ENRICHED ASENAPINE NSD2, DRD2, SNRPD2 CYP1A2 646/4885CYP3A4 460/4885CYP2C9 498/4885
US-20120165545-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-2-METHYL-2,3,3A,12b-TETRAHYDRO-1H-DIBENZO[2,3:6,7]OXEPINO[4,5-c]PYRROLE DHPS, CYP3A5, ALKBH5 CYP1A2 24/4885CYP3A4 34/4885CYP2C9 26/4885

“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.