Sugi Predict

Sugi Predict / Compounds / SCHEMBL172932

SCHEMBL172932

SCHEMBL172932

CN(C)C[C@@H](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
SCHEMBL447982 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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022097540-A1 PEPTIDE SYNTHESIS METHOD FOR SUPPRESSING DEFECT CAUSED BY DIKETOPIPERAZINE FORMATION 中外製薬株式会社 2022-05-12 — — WO disclosed
EP-2598492-B1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2015-10-28 — — EP disclosed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 — — EP disclosed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 — — EP disclosed
EP-1973875-B1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2014-06-11 — — EP 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
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-8710044-B2 Bicyclic azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-04-29 — — US 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-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-05-30 — — US disclosed
WO-2007075387-A1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY, INC. (US) 2007-07-05 — — WO disclosed
US-6683200-B2 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE IS USED AS A TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORY AGENT AND A THERAPEUTICAL AGENT FOR AUTOIMMUNE DISEASES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-01-27 — — US disclosed
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 — — EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 — — US disclosed
US-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-06 — — US disclosed
EP-1172358-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND MEDICINAL COMPOSITIONS CONTAINING THE SAME SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 — — EP disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 — — US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 — — EP disclosed
US-4704464-A CHELATE COMPOUNDS ASTA-WERKE AKTIENGESELLSCHAFT CHEMISCHE FABRIK (DE) 1987-11-03 — — US disclosed
EP-0193083-A1 Anti-tumoral(1-arylmethyl-ethylene diamine)-platinum(II)-complexes ASTA Pharma AG (DE) 1986-09-03 — — 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 (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-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides CCNI, CCNA1, CCNA2 EPHX1 2869/4885ANPEP 2829/4885SLC6A2 4867/4885
US-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives TNF, NFKBIA, UMPS EPHX1 2802/4885ANPEP 154/4885SLC6A2 2964/4885

“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.