SCHEMBL2911039

SCHEMBL2911039

CCCCOc1cccc(CCN)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.62
▸ GLA P06280 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CYP2D6 P10635 4/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAOB P27338 1/20 0.52
▸ DHFR P00374 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ PPARG P37231 1/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ ACHE P22303 3/20 0.51

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
Hydrochloric Acid SCHEMBL3020991 0.98 TAAR1 (0.60) TAAR1GLASMN1; SMN2CYP2D6TSHR
SCHEMBL7991368 0.95 TAAR1 (0.60) TAAR1CYP2D6TSHRDHFRKCNH2
SCHEMBL17402422 0.94 TSHR (0.62) TAAR1CYP2D6TSHRDHFRKCNH2
SCHEMBL9583212 0.94 TSHR (0.62) TAAR1CYP2D6TSHRDHFRKCNH2
Hydrochloric Acid SCHEMBL28001157 0.92 TSHR (0.60) TAAR1CYP2D6TSHRDHFRKCNH2
SCHEMBL19291600 0.92 CYP2D6 (0.55) TAAR1CYP2D6TSHRDHFRKCNH2
SCHEMBL1047449 0.92 TAAR1 (0.64) TAAR1CYP2D6TSHRMAOBDHFR
SCHEMBL720798 0.90 CYP2D6 (0.58) CYP2D6TSHRDHFRKCNH2PPARG
SCHEMBL14382693 0.88 CYP2D6 (0.57) CYP2D6TSHRDHFRKCNH2PPARG
SCHEMBL2206741 0.87 TSHR (0.58) CYP2D6TSHRDHFRKCNH2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177417-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO]ALKANEAMIDE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2022-06-09 — — US disclosed
WO-2020212227-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO]ALKANEAMIDE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2020-10-22 — — WO disclosed
WO-2020212352-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO]ALKANEAMIDE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2020-10-22 — — WO disclosed
EP-3725768-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO]ALKANEAMIDE DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2020-10-21 — — EP disclosed
EP-3725769-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO]ALKANEAMIDE DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2020-10-21 — — EP disclosed
WO-2016169911-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2016-10-27 — — WO disclosed
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 — — US disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 — — US disclosed
EP-2220100-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälisch-Technische Hochschule Aachen (DE) 2010-08-25 — — EP disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 — — EP disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 — — EP disclosed
US-6818640-B1 BIND SELECTIVELY TO CANNABINOID 2 RECEPTOR; ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2004-11-16 — — US disclosed
CN-1514831-A Medicinal composition containing 1,3-thiazine derivative ��Ұ����ҩ��ʽ���� 2004-07-21 — — CN disclosed
US-20040116326-A1 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2004-06-17 — — US disclosed
EP-1375489-A1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2004-01-02 — — EP disclosed
CN-1387519-A 2-imino-1, 3-thiazine derivatives SHIONOGI & CO (JP) 2002-12-25 — — CN disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 — — EP disclosed
EP-0170524-B1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-15 — — EP disclosed
US-4968698-A FUNGICIDES, ANTIPROTOZOA AGENTS BURROUGHS WELLCOME CO. (US) 1990-11-06 — — US disclosed
EP-0170524-A2 Nitrogen containing heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 — — 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-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX TAAR1 4519/4885GLA 3883/4885SMN1; SMN2 3132/4885
US-20220177417-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO]ALKANEAMIDE DERIVATIVES PKD2, BCKDK, ALK TAAR1 3187/4885GLA 2561/4885SMN1; SMN2 2341/4885

“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.

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