SCHEMBL11222353

SCHEMBL11222353

c1ccc2ccc[nH]cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.57
ALOX12 P18054 1/20 0.57
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
TRPA1 O75762 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
AHR P35869 1/20 0.41
ADK P55263 1/20 0.41
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 4/20 0.36
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
CYP3A4 P08684 2/20 0.35

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
Naphthalene SCHEMBL15929321 0.93 CYP2A6 (0.57) CYP2A6ALOX12CA1CA2TRPA1
Naphthalene SCHEMBL28798040 0.90 CYP2A6 (0.53) CYP2A6ALOX12CA1CA2TRPA1
SCHEMBL11693494 0.87 CYP2A6 (0.50) CYP2A6ALOX12CA1CA2TRPA1
Anthracene SCHEMBL27574555 0.80 ALDH1A1 (0.42) CYP2A6ALOX12CA1CA2TRPA1
Naphthalene SCHEMBL29358073 0.76 CYP2A6 (1.00) CYP2A6ALOX12CA1CA2ALDH1A1
Naphthalene SCHEMBL8613802 0.76 CYP2A6 (1.00) CYP2A6ALOX12CA1CA2ALDH1A1
Naphthalene SCHEMBL1330659 0.76 CYP2A6 (1.00) CYP2A6ALOX12CA1CA2ALDH1A1
Naphthalene SCHEMBL30685720 0.76 CYP2A6 (1.00) CYP2A6ALOX12CA1CA2ALDH1A1
Naphthalene SCHEMBL1332240 0.76 CYP2A6 (1.00) CYP2A6ALOX12CA1CA2ALDH1A1
Naphthalene SCHEMBL8953 0.76 CYP2A6 (1.00) CYP2A6ALOX12CA1CA2ALDH1A1

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-10703725-B2 Process for producing novel 4-benzoazonine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2020-07-07 US claimed
US-20180258047-A1 PROCESS FOR PRODUCING NOVEL 4-BENZOAZONINE DERIVATIVES NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2018-09-13 US claimed
EP-3351534-A1 METHOD FOR PRODUCING NOVEL 4-BENZAZONINE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2018-07-25 EP claimed
US-4082744-A CNS, ANALGESICS, ANTITUSSIVE, SEDATIVES NIHON IYAKUHIN KOGYO CO., LTD. (JA) 1978-04-04 US claimed
US-4008219-A CNS ANALGESIC, ANTITUSSIVE, SEDATIVE NIHON IYAKUHIN KOGYO CO., LTD. (JA) 1977-02-15 US claimed
JP-57050965-A None JP disclosed
US-10703725-B2 Process for producing novel 4-benzoazonine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2020-07-07 US disclosed
US-10703725-B2 Process for producing novel 4-benzoazonine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2020-07-07 US disclosed
US-20180258047-A1 PROCESS FOR PRODUCING NOVEL 4-BENZOAZONINE DERIVATIVES NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2018-09-13 US disclosed
EP-3351534-A1 METHOD FOR PRODUCING NOVEL 4-BENZAZONINE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2018-07-25 EP disclosed
CN-107922341-A The manufacture method of 4 new benzo azonine derivatives 日本脏器制药株式会社 2018-04-17 CN disclosed
JP-S5750965-A PREPARATION OF N-METHYL-4-BENZAZONINE DERIVATIVE NIPPON IYAKUHIN KOGYO KK 1982-03-25 JP disclosed
US-4082744-A CNS, ANALGESICS, ANTITUSSIVE, SEDATIVES NIHON IYAKUHIN KOGYO CO., LTD. (JA) 1978-04-04 US disclosed
US-4082744-A CNS, ANALGESICS, ANTITUSSIVE, SEDATIVES NIHON IYAKUHIN KOGYO CO., LTD. (JA) 1978-04-04 US disclosed
US-4008219-A CNS ANALGESIC, ANTITUSSIVE, SEDATIVE NIHON IYAKUHIN KOGYO CO., LTD. (JA) 1977-02-15 US disclosed
US-4008219-A CNS ANALGESIC, ANTITUSSIVE, SEDATIVE NIHON IYAKUHIN KOGYO CO., LTD. (JA) 1977-02-15 US disclosed
US-4008219-A CNS ANALGESIC, ANTITUSSIVE, SEDATIVE NIHON IYAKUHIN KOGYO CO., LTD. (JA) 1977-02-15 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 (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-20180258047-A1 PROCESS FOR PRODUCING NOVEL 4-BENZOAZONINE DERIVATIVES CYP4Z1, CYP4A11, CBR1 CYP2A6 360/4885ALOX12 2864/4885CA1 1313/4885
US-10703725-B2 Process for producing novel 4-benzoazonine derivatives NPY4R, CBR1, CYP4Z1 CYP2A6 385/4885ALOX12 2839/4885CA1 1286/4885

“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.