SCHEMBL1306715

SCHEMBL1306715

NC1CCN(C2CCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.42
OPRM1 P35372 4/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
OGFRL1 Q5TC84 3/20 0.40
DPP4 P27487 1/20 0.39
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
HTR6 P50406 1/20 0.38
OPRL1 P41146 1/20 0.37
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 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
Hydrochloric Acid SCHEMBL542930 0.97 SLC18A3 (0.41) SLC18A3OPRM1OPRD1OPRK1OGFRL1
SCHEMBL31351060 0.97 SLC18A3 (0.45) SLC18A3OPRM1OPRD1OPRK1OGFRL1
Hydrochloric Acid SCHEMBL3951619 0.97 SLC18A3 (0.41) SLC18A3OPRM1OPRD1OPRK1OGFRL1
SCHEMBL550979 0.97 SLC18A3 (0.45) SLC18A3OPRM1OPRD1OPRK1OGFRL1
SCHEMBL3958871 0.97 SLC18A3 (0.45) SLC18A3OPRM1OPRD1OPRK1OGFRL1
Hydrochloric Acid SCHEMBL28190168 0.95 SLC18A3 (0.44) SLC18A3OPRM1OPRD1OPRK1OGFRL1
SCHEMBL26142120 0.95 OPRM1 (0.44) SLC18A3OPRM1OPRD1OPRK1OGFRL1
SCHEMBL986211 0.94 SLC18A3 (0.38) SLC18A3OPRM1OPRD1OPRK1OGFRL1
SCHEMBL26544283 0.93 HTR6 (0.39) SLC18A3OPRM1OPRD1OPRK1OGFRL1
Hydrochloric Acid SCHEMBL16446982 0.93 SLC18A3 (0.42) SLC18A3OPRM1OPRD1OPRK1OGFRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346820-B2 HIV-1 protease inhibitors having gem-di-fluoro bicyclic P2-ligands PURDUE RESEARCH FOUNDATION (US) 2016-05-24 US claimed
US-20150072958-A1 HIV-1 PROTEASE INHIBITORS HAVING GEM-DI-FLUORO BICYCLIC P2-LIGANDS PURDUE RESEARCH FOUNDATION 2015-03-12 US claimed
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP claimed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US claimed
JP-2005514365-A 2005-05-19 JP claimed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP claimed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US claimed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO claimed
CN-111372927-A Tricyclic compounds as histone methyltransferase inhibitors 全球血液疗法股份有限公司 2020-07-03 CN disclosed
EP-3666758-A1 PROCESS FOR THE PREPARATION OF A SULFONAMIDE DERIVATIVE AbbVie Inc. (US) 2020-06-17 EP disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
CN-106008466-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2018-12-14 CN disclosed
US-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-09-06 US disclosed
CN-106008322-B sulfonamide derivatives as BC L-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE 公司 2018-09-04 CN disclosed
CN-1481358-A Amide derivatives and their use in the treatment of thromboembolic disorders and tumours Ĭ��ר���ɷ����޹�˾ 2004-03-10 CN disclosed
US-20040038858-A1 Carboxamide derivatives and their use in the treatment of thromboembolic diseases and tumours MERCK PATENT GMBH (DE) 2004-02-26 US disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
EP-1341755-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GmbH (DE) 2003-09-10 EP disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO disclosed
WO-2002048099-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GMBH (DE) 2002-06-20 WO 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 (4 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-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 SLC18A3 4836/4885OPRM1 4818/4885OPRD1 4563/4885
US-20150072958-A1 HIV-1 PROTEASE INHIBITORS HAVING GEM-DI-FLUORO BICYCLIC P2-LIGANDS PREP, DPEP1, BACE1 SLC18A3 721/4885OPRM1 2761/4885OPRD1 3663/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 SLC18A3 3386/4885OPRM1 812/4885OPRD1 736/4885
US-20040038858-A1 Carboxamide derivatives and their use in the treatment of thromboembolic diseases and tumours CNR2, CNR1, HCAR2 SLC18A3 4854/4885OPRM1 454/4885OPRD1 572/4885

“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.