SCHEMBL447982

SCHEMBL447982

CN(C)CC(N)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.64
ANPEP P15144 1/20 0.55
SLC6A2 P23975 2/20 0.54
TAAR1 Q96RJ0 2/20 0.54
MAOA P21397 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
CYP2A6 P11509 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
OPRD1 P41143 3/20 0.51
OPRK1 P41145 3/20 0.51
CYP2D6 P10635 1/20 0.50
HTR2A P28223 1/20 0.48
HRH1 P35367 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
SCN4A P35499 1/20 0.46

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
SCHEMBL172932 1.00 EPHX1 (0.64) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL172909 1.00 EPHX1 (0.64) EPHX1ANPEPSLC6A2TAAR1MAOA
Hydrochloric Acid SCHEMBL5640811 0.98 EPHX1 (0.61) EPHX1ANPEPSLC6A2TAAR1MAOA
Lithium Ion SCHEMBL29696027 0.96 EPHX1 (0.59) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL9393441 0.83 EPHX1 (0.70) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL8267463 0.82 EPHX1 (0.57) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL11116432 0.82 EPHX1 (0.57) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL496237 0.81 CSNK1E (0.55) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL19066473 0.80 SLC6A4 (0.67) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL172954 0.80 TAAR1 (0.50) EPHX1ANPEPTAAR1SIGMAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US claimed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US claimed
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LIMITED (GB) 2003-07-24 US claimed
CN-114026068-A EP2 antagonists 小野药品工业株式会社 2022-02-08 CN disclosed
CN-102753538-B Sultam derivatives HOFFMANN LA ROCHE 2015-04-08 CN disclosed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP disclosed
US-8889692-B2 Pyrazinone derivatives, pharmaceutically acceptance salts thereof and their uses ASTRAZENECA AB (SE) 2014-11-18 US disclosed
EP-2064192-B1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2014-05-14 EP disclosed
US-8609706-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY DISCOVERY, INC. (US) 2013-12-17 US disclosed
US-20130131063-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES BROUGH STEPHEN (GB) 2013-01-10 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
US-20040097730-A1 Thrombin inhibitors MERCK & CO., INC. 2004-05-20 US disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO disclosed
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LIMITED (GB) 2003-07-24 US disclosed
EP-0122018-B1 IMPROVEMENTS IN AND RELATING TO PHARMACOLOGICALLY ACTIVE TRIPEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1987-09-02 EP disclosed
US-4504663-A ANALGESIC, ANTIDEPRESSANT DELALANDE S.A. (FR) 1985-03-12 US disclosed
EP-0122018-A2 Improvements in and relating to pharmacologically active tripeptide derivatives ELI LILLY AND COMPANY (US) 1984-10-17 EP 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 (6 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-20050143383-A1 Pharmaceutical compounds CHRNA10, OPRM1, SCN10A EPHX1 2441/4885ANPEP 3722/4885SLC6A2 1080/4885
US-20040097730-A1 Thrombin inhibitors F3, F2, SERPINC1 EPHX1 2264/4885ANPEP 1109/4885SLC6A2 3888/4885
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R EPHX1 1532/4885ANPEP 537/4885SLC6A2 49/4885
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES CYP3A7, CYP3A5, CYP2C19 EPHX1 3726/4885ANPEP 3672/4885SLC6A2 4386/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B EPHX1 1813/4885ANPEP 1753/4885SLC6A2 1541/4885
US-20130131063-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 EPHX1 4012/4885ANPEP 3834/4885SLC6A2 3622/4885

“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.