SCHEMBL658991

SCHEMBL658991

CCNC(=O)CC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
EPHX1 P07099 2/20 0.57
KMT2A Q03164 1/20 0.57
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
EPHX2 P34913 3/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
RECQL P46063 1/20 0.46
P2RX7 Q99572 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
SCHEMBL10170261 0.98 HPGD (0.53) HPGDEPHX1KMT2ARAB9ANPC1
SCHEMBL12252175 0.89
SCHEMBL8848512 0.84 EPHX2 (0.55) HPGDEPHX1KMT2ARAB9ANPC1
SCHEMBL14817499 0.82 HPGD (0.47) HPGDEPHX1KMT2ARAB9ANPC1
SCHEMBL6360164 0.82 EPHX2 (0.53) HPGDEPHX1KMT2ARAB9ANPC1
SCHEMBL628952 0.81 KEAP1 (0.57) HPGDEPHX1KMT2AEPHX2KEAP1
SCHEMBL8244324 0.80 HPGD (0.53) HPGDEPHX1KMT2ARAB9ANPC1
SCHEMBL5645399 0.80 EPHX1 (0.50) EPHX1KMT2AEPHX2
SCHEMBL3303333 0.80 HTT (0.43) HPGDEPHX1KMT2ARAB9ANPC1
SCHEMBL6607606 0.80 HPGD (0.59) HPGDEPHX1KMT2ARAB9ANPC1

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
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
WO-2021027722-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2021-02-18 WO disclosed
WO-2021027729-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2021-02-18 WO disclosed
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 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-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 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
WO-2010031735-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 US disclosed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 US disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 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 (10 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 HPGD 1082/4885EPHX1 330/4885KMT2A 2953/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 HPGD 1228/4885EPHX1 678/4885KMT2A 4200/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 HPGD 1082/4885EPHX1 330/4885KMT2A 2953/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 HPGD 1228/4885EPHX1 678/4885KMT2A 4200/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 HPGD 584/4885EPHX1 816/4885KMT2A 3764/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 HPGD 1082/4885EPHX1 330/4885KMT2A 2953/4885
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE QDPR, NQO2, CYP3A4 HPGD 872/4885EPHX1 2458/4885KMT2A 3930/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL HPGD 3617/4885EPHX1 2385/4885KMT2A 754/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 HPGD 1228/4885EPHX1 678/4885KMT2A 4200/4885

“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.