SCHEMBL4901400

SCHEMBL4901400

CC(C)(C)N1CCCCC1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
FKBP1A P62942 5/20 0.35
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4898829 0.94 HSD17B10 (0.37) EPHX1HTTLMNACYP2C19HSD17B10
SCHEMBL10205021 0.94 HSD17B10 (0.37) EPHX1HTTLMNACYP2C19HSD17B10
SCHEMBL8235608 0.94 HSD17B10 (0.37) EPHX1HTTLMNACYP2C19HSD17B10
Hydrochloric Acid SCHEMBL7302950 0.92 HSD17B10 (0.36) EPHX1HTTLMNACYP2C19HSD17B10
SCHEMBL22678726 0.86 HTT (0.42) EPHX1HTTSMN1; SMN2ATM
SCHEMBL10159973 0.86 HTT (0.42) EPHX1HTTSMN1; SMN2ATM
SCHEMBL16017678 0.82 FKBP1A (0.36) FKBP1AHTTLMNACYP2C19HSD17B10
SCHEMBL10037291 0.82 LMNA (0.44) HTTLMNACYP2C19HSD17B10SMN1; SMN2
SCHEMBL1592788 0.82 LMNA (0.44) HTTLMNACYP2C19HSD17B10SMN1; SMN2
SCHEMBL5429806 0.82 LMNA (0.44) HTTLMNACYP2C19HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492136-A2 Retroviral protease inhibitors derived from 3-chloro-2-chloromethyl-1-propene AMERICAN CYANAMID COMPANY (US) 1992-07-01 EP claimed
US-11529338-B2 Compositions and methods for treating cancer CEDARS-SINAI MEDICAL CENTER (US) 2022-12-20 US disclosed
US-20210163403-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CEDARS-SINAI MEDICAL CENTER (US) 2021-06-03 US disclosed
US-10927070-B2 Compositions and methods for treating cancer CEDARS-SINAI MEDICAL CENTER (US) 2021-02-23 US disclosed
US-20200188373-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CEDARS-SINAI MEDICAL CENTER (US) 2020-06-18 US disclosed
US-20190194124-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CEDARS-SINAI MEDICAL CENTER (US) 2019-06-27 US disclosed
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-8067590-B2 Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 US disclosed
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-7026485-B2 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-20050004230-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2005-01-06 US disclosed
US-6762187-B2 HETEROCYCLIC NITROGEN COMPOUNDS USED AS ENZYME INHIBITORS FOR PROPHYLAXIS OF HUMAN IMMUNODEFICIENCY VIRUS(HIV) MONSANTO COMPANY 2004-07-13 US disclosed
US-6506759-B1 Method for treating HIV-related AIDS comprising administering an effective amount of a composition N-heterocyclic moiety containing hydroxyethylamine compounds are effective as retroviral protease inhibitors, and in MONSANTO COMPANY 2003-01-14 US disclosed
US-6180646-B1 PREVENT REPRODUCTION OF RETROVIRUS MONSANTO COMPANY 2001-01-30 US disclosed
US-6127372-A FOR TREATMENT OR PREVENTION OF VIRAL DISEASES, ESPECIALLY AIDS OR HIV VERTEX PHARMACEUTICALS, INCORPORATED (US) 2000-10-03 US disclosed
WO-1995024385-A1 SULPHONAMIDE DERIVATIVES AS ASPARTYL PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-09-14 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 (11 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 EPHX1 2641/4885FKBP1A 1938/4885HTT 582/4885
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 EPHX1 3179/4885FKBP1A 2422/4885HTT 2568/4885
US-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 EPHX1 992/4885FKBP1A 1491/4885HTT 1159/4885
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R EPHX1 2709/4885FKBP1A 1437/4885HTT 1601/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 EPHX1 3179/4885FKBP1A 2422/4885HTT 2568/4885
US-20050004230-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 EPHX1 550/4885FKBP1A 2660/4885HTT 576/4885
US-20210163403-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TSG101, RNASE1, TP53 EPHX1 3300/4885FKBP1A 2318/4885HTT 2878/4885
US-11529338-B2 Compositions and methods for treating cancer CHRNB2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NNMT EPHX1 2009/4885FKBP1A 4801/4885HTT 2992/4885
US-20200188373-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CHRNB2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NNMT EPHX1 2009/4885FKBP1A 4801/4885HTT 2992/4885
US-20190194124-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TSG101, TP53, RNASE1 EPHX1 3388/4885FKBP1A 2485/4885HTT 2547/4885
US-10927070-B2 Compositions and methods for treating cancer TSG101, RNASE1, TP53 EPHX1 3300/4885FKBP1A 2318/4885HTT 2878/4885

“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.