SCHEMBL10170261

SCHEMBL10170261

CCNC(=O)CC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
EPHX1 P07099 2/20 0.53
KMT2A Q03164 2/20 0.53
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
EPHX2 P34913 3/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
RECQL P46063 1/20 0.44

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
SCHEMBL658991 0.98 HPGD (0.57) HPGDEPHX1KMT2ARAB9ANPC1
SCHEMBL12252175 0.91
SCHEMBL6360164 0.83 EPHX2 (0.53) HPGDEPHX1KMT2ARAB9ANPC1
SCHEMBL8848512 0.82 EPHX2 (0.55) HPGDEPHX1KMT2ARAB9ANPC1
SCHEMBL5645399 0.82 EPHX1 (0.50) EPHX1KMT2AEPHX2
SCHEMBL3303333 0.82 HTT (0.43) HPGDEPHX1KMT2ARAB9ANPC1
SCHEMBL14045113 0.81 HPGD (0.44) HPGDEPHX1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL7423753 0.80 EPHX1 (0.49) EPHX1EPHX2
SCHEMBL10274873 0.80 KEAP1 (0.48) EPHX1KMT2AKEAP1NFE2L2
SCHEMBL6359085 0.80 KEAP1 (0.55) HPGDEPHX1KMT2AEPHX2KEAP1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2909201-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2015-08-26 EP claimed
WO-2014064038-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2014-05-01 WO claimed
EP-2463371-B1 SIRNA CONJUGATE AND PREPARATION METHOD THEREOF BIONEER CORP (KR) 2015-08-26 EP disclosed
US-8410155-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US disclosed
US-8334378-B2 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-18 US disclosed
US-20120269769-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120034187-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8084395-B2 4-aza indole derivatives and their use as fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
US-8067438-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-8017771-B2 Process for preparing acyclic HCV protease inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-13 US disclosed
US-20110177030-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 US disclosed
US-7939667-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 US disclosed
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-07-22 US disclosed
US-20100145041-A1 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-7691868-B2 N-{8-[2-chloro-5-(3-methylamino-prop-1-ynyl)-phenyl]-4,5-dihydro-thiazolo[4,5-h]quinazolin-2-yl}-acetamide; PI3-kinase modulators for the treatment of inflammatory or allergic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-20090124809-A1 PROCESS FOR PREPARING ACYCLIC HCV PROTEASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 US disclosed
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 US disclosed
US-20070243166-A1 Hepatitis C Inhibitor Compounds LLINAS-BRUNET MONTSE 2007-10-18 US 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 (8 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-20100145041-A1 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same QDPR, NQO2, DHPS HPGD 950/4885EPHX1 1722/4885KMT2A 3009/4885
US-20120269769-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC HPGD 2635/4885EPHX1 1504/4885KMT2A 4209/4885
US-20070243166-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC HPGD 2635/4885EPHX1 1504/4885KMT2A 4209/4885
US-20090124809-A1 PROCESS FOR PREPARING ACYCLIC HCV PROTEASE INHIBITORS PREP, VIP, PEPD HPGD 926/4885EPHX1 1048/4885KMT2A 2984/4885
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE QDPR, NQO2, CYP3A4 HPGD 872/4885EPHX1 2458/4885KMT2A 3930/4885
US-20120034187-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC HPGD 2635/4885EPHX1 1504/4885KMT2A 4209/4885
US-20110177030-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC HPGD 2635/4885EPHX1 1504/4885KMT2A 4209/4885
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES IDO1, INMT, AZI2 HPGD 958/4885EPHX1 1979/4885KMT2A 957/4885

“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.