SCHEMBL42127

SCHEMBL42127

O=C(OCc1ccccc1)N1CC[N]CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
CYP2C19 P33261 1/20 0.61
GRIN2B Q13224 9/20 0.54
CYP2D6 P10635 4/20 0.53
CYP2C9 P11712 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 1/20 0.51
CYP3A4 P08684 3/20 0.50
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48

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
SCHEMBL6202694 0.98 MEN1 (0.64) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5542597 0.94 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6199902 0.92 KMT2A (0.82) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.88 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.88 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.88 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.88 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Bicarbonate SCHEMBL4357688 0.86 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15011579 0.86 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1000788 0.85 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002312-A1 TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-04 US claimed
US-8288531-B2 Preparation process BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-16 US claimed
US-8119797-B2 Production method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-21 US claimed
US-20110295000-A1 PRODUCTION METHOD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US claimed
US-20110087021-A1 NOVEL PREPARATION PROCESS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US claimed
US-20100152439-A1 PRODUCTION METHOD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-17 US claimed
EP-2188275-A2 NOVEL PREPARATION PROCESS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP claimed
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US claimed
US-7696346-B2 2-oxoethyl(1R)-4-(1,2,4,5-tetrahydro-2-oxo-3H-1,3-benzodiazepin-3-yl)-1-[[3,5-dimethyl-4-(phenylmethoxy)phenyl]methyl]-2-[4-(4-morpholinyl)-1-piperidinyl]-1-piperidinecarboxylate; coupling alpha -hydroxy-3,5-dimethyl-4-(phenylmethoxy)-phenylpropionic acid-monosodium salt with 1,3-benzodiazepin compound BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US claimed
US-7576101-B2 Using sulfonamides such as N-[N-(3-pyridinesulfonyl)-L-3,3-dimethyl-4-thiaprolyl]-O-[1-methylpiperazin-4-ylcarbonyl]-L-tyrosine isopropyl ester optionally with immunoglobulins, steroids, antiinflammatory agents ELAN PHARMACEUTICALS, INC. (US) 2009-08-18 US claimed
US-20030017993-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 WYETH 2003-01-23 US claimed
US-20020193312-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-12-19 US claimed
US-6489300-B1 INHIBITORS OF ADHESION IN THE TREATMENT OF INFLAMMATORY BRAIN DISEASES AND OTHER INFLAMMATORY CONDITIONS ELAN PHARMACEUTICALS, INC. 2002-12-03 US claimed
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US claimed
EP-1071680-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-31 EP claimed
CN-1265657-A Carbamoyloxy compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN claimed
EP-1000051-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-17 EP claimed
WO-1999052898-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-21 WO claimed
WO-1999006390-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-5591737-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1997-01-07 US 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 (7 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-20030017993-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM MEN1 1753/4885KMT2A 760/4885NPSR1 1843/4885
US-20110087021-A1 NOVEL PREPARATION PROCESS CYP2F1, CYP11B2, CYP11B1 MEN1 270/4885KMT2A 4366/4885NPSR1 315/4885
US-20020193312-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM MEN1 1753/4885KMT2A 760/4885NPSR1 1843/4885
US-20180002312-A1 TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F12, HRH4 MEN1 706/4885KMT2A 3093/4885NPSR1 1953/4885
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MEN1 883/4885KMT2A 4776/4885NPSR1 64/4885
US-20110295000-A1 PRODUCTION METHOD CYP2F1, CYP7A1, CYP1A1 MEN1 307/4885KMT2A 4536/4885NPSR1 320/4885
US-20100152439-A1 PRODUCTION METHOD CYP2F1, CYP7A1, CYP1A1 MEN1 307/4885KMT2A 4536/4885NPSR1 320/4885

“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.