SCHEMBL3103992

SCHEMBL3103992

c1ccc2c(c1)CCCc1ccccc1-2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.68
MAOA P21397 1/20 0.68
MAOB P27338 1/20 0.68
TSHR P16473 1/20 0.61
CES1 P23141 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
HPGD P15428 1/20 0.54
NOS3 P29474 2/20 0.52
DRD4 P21917 1/20 0.50
CYP19A1 P11511 4/20 0.48
CYP11B1 P15538 4/20 0.48
CYP11B2 P19099 4/20 0.48
MAPT P10636 1/20 0.48
MIF P14174 1/20 0.48
G6PC1 P35575 1/20 0.46
NOS2 P35228 1/20 0.44
PDPK1 O15530 1/20 0.44
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44

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
SCHEMBL30505637 1.00 CYP2A6 (0.68) CYP2A6MAOAMAOBTSHRCES1
SCHEMBL30436320 0.97 CYP2A6 (0.65) CYP2A6MAOAMAOBTSHRCES1
SCHEMBL9652088 0.97 CYP2A6 (0.65) CYP2A6MAOAMAOBTSHRCES1
SCHEMBL568779 0.94 TSHR (0.71) CYP2A6MAOAMAOBTSHRCES1
SCHEMBL31430380 0.94 TSHR (0.71) CYP2A6MAOAMAOBTSHRCES1
SCHEMBL30731351 0.91 TSHR (0.67) CYP2A6MAOAMAOBTSHRCES1
SCHEMBL30436120 0.91 TSHR (0.67) CYP2A6MAOAMAOBTSHRCES1
SCHEMBL31621255 0.91 TSHR (0.67) CYP2A6MAOAMAOBTSHRCES1
SCHEMBL31135519 0.91 TSHR (0.67) CYP2A6MAOAMAOBTSHRCES1
SCHEMBL30668198 0.91 TSHR (0.67) CYP2A6MAOAMAOBTSHRCES1

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 345 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925154-A Dibenzocycloheptyl group-containing pyrido ring metal complex and application thereof in olefin polymerization 北京服装学院 2023-10-24 CN claimed
US-20230234907-A1 METHOD FOR SYNTHESIZING DIBENZOCYCLOHEPTANE DERIVATIVES BY SERIES CYCLIZATION OF FREE RADICALS UNDER ELECTROOXIDATION CONDITIONS ZHEJIANG NORMAL UNIVERSITY (CN) 2023-07-27 US claimed
CN-116284046-A Ballon Sha Wei derivative, and preparation method and application thereof 山东新华制药股份有限公司 2023-06-23 CN claimed
EP-3544597-A1 THERAPIES FOR THE TREATMENT OF LIDOCAINE-INEFFECTIVE AND HYPOKALEMIC CONDITIONS Alkalidx, Inc. (US) 2019-10-02 EP claimed
CN-106631793-B A kind of preparation method of dibenzocycloheptane derivative 浙江师范大学 2019-03-08 CN claimed
CN-108863957-A Quinoxaline-fused dibenzocycloheptane spiro-ene compound and organic light emitting diode element 杰秀有限公司 2018-11-23 CN claimed
WO-2018098273-A1 THERAPIES FOR THE TREATMENT OF LIDOCAINE-INEFFECTIVE AND HYPOKALEMIC CONDITIONS ALKALIDX, INC. (US) 2018-05-31 WO claimed
CN-106631793-A Dibenzo cycloheptane derivative preparation method 浙江师范大学 2017-05-10 CN claimed
US-20140350081-A1 INSECT G-COUPLED RECEPTORS USEFUL AS TARGETS FOR INSECTICIDES AND COMPOUNDS AND REAGENTS IDENTIFIED USING THE SAME US ARMY, SECRETARY OF THE ARMY 2014-11-27 US claimed
WO-2013067519-A2 INSECT AND TICK G-COUPLED RECEPTORS USEFUL AS TARGETS FOR INSECTICIDES AND COMPOUNDS AND REAGENTS IDENTIFIED USING THE SAME PURDUE RESEARCH FOUNDATION (US) 2013-05-10 WO claimed
US-20030049308-A1 Transdermal or transmucosal dosage forms with a nicotine-containing active substance combination for smoker disintoxication LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2003-03-13 US claimed
EP-1274405-A2 TRANSDERMAL OR TRANSMUCOSAL DOSAGE FORMS WITH A NICOTINE-CONTAINING ACTIVE SUBSTANCE COMBINATION FOR SMOKER DISINTOXICATION LTS Lohmann Therapie-Systeme AG (DE) 2003-01-15 EP claimed
WO-2001080837-A2 TRANSDERMAL OR TRANSMUCOSAL DOSAGE FORMS WITH A NICOTINE-CONTAINING ACTIVE SUBSTANCE COMBINATION FOR SMOKER DISINTOXICATION LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2001-11-01 WO claimed
EP-1129704-A1 Process for targeted administration of active agents on the central nervous system pharmed Holding GmbH (DE) 2001-09-05 EP claimed
US-5736412-A COMBINATORIAL APPROACH; OPTIMIZING ABILITY FOR COMPOUNDS TO BIND AT REACTION SITE BY SELECTING COMPOUNDS HAVING GREATEST REACTIVITY ARQULE, INC. (US) 1998-04-07 US claimed
US-5712171-A DRUGS WITH PEPTIDE GROUPS FOR BEADS, PLATES MEMBRANES AND COMPOSITES ARQULE, INC. (US) 1998-01-27 US claimed
US-4505909-A Method and composition for treating and preventing irritation of the eyes BERNSTEIN JOEL E (US) 1985-03-19 US claimed
EP-0093373-A1 Method and composition for treating and preventing irritation of the mucous membranes of the nose Bernstein, Joel E. (US) 1983-11-09 EP claimed
US-4370324-A Method and composition for treating and preventing irritation of the eyes BERNSTEIN JOEL E (US) 1983-01-25 US claimed
EP-0048023-A2 Composition for treating and preventing irritation of the eyes Bernstein, Joel E., M.D. (US) 1982-03-24 EP claimed

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-20140350081-A1 INSECT G-COUPLED RECEPTORS USEFUL AS TARGETS FOR INSECTICIDES AND COMPOUNDS AND REAGENTS IDENTIFIED USING THE SAME DDT, ADRA2C, MCHR1 CYP2A6 994/4885MAOA 342/4885MAOB 370/4885
US-20230234907-A1 METHOD FOR SYNTHESIZING DIBENZOCYCLOHEPTANE DERIVATIVES BY SERIES CYCLIZATION OF FREE RADICALS UNDER ELECTROOXIDATION CONDITIONS POR, CYP2E1, CYP2A7 CYP2A6 41/4885MAOA 1501/4885MAOB 992/4885

“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.