SCHEMBL1778461

SCHEMBL1778461

COC(=O)NC1CCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.47
KCNH2 Q12809 1/20 0.44
MAPK1 P28482 1/20 0.43
OPRK1 P41145 1/20 0.43
POLB P06746 1/20 0.42
DRD4 P21917 1/20 0.40
KDM1A O60341 1/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
TSHR P16473 1/20 0.35
HTR4 Q13639 1/20 0.35
PARP1 P09874 1/20 0.35
PBK Q96KB5 1/20 0.35
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
SLC6A1 P30531 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRB2 P47870 1/20 0.34
SLC6A12 P48065 1/20 0.34

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
SCHEMBL5320954 1.00 EPHX1 (0.47) EPHX1KCNH2MAPK1OPRK1POLB
SCHEMBL14222420 1.00 EPHX1 (0.47) EPHX1KCNH2MAPK1OPRK1POLB
Hydrochloric Acid SCHEMBL17560597 0.98 EPHX1 (0.45) EPHX1KCNH2MAPK1OPRK1POLB
Hydrochloric Acid SCHEMBL17560408 0.98 EPHX1 (0.45) EPHX1KCNH2MAPK1OPRK1POLB
Hydrochloric Acid SCHEMBL17560406 0.98 EPHX1 (0.45) EPHX1KCNH2MAPK1OPRK1POLB
SCHEMBL965984 0.89 MAPK1 (0.55) EPHX1MAPK1OPRK1TSHRPARP1
SCHEMBL27714012 0.89 MAPK1 (0.55) EPHX1MAPK1OPRK1TSHRPARP1
SCHEMBL965310 0.88 EPHX1 (0.61) EPHX1POLBGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL17560419 0.87 MAPK1 (0.54) EPHX1MAPK1OPRK1TSHRPARP1
Hydrochloric Acid SCHEMBL17560443 0.87 MAPK1 (0.54) EPHX1MAPK1OPRK1TSHRPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0391169-A2 Enantiomeric pure 7-(3-amino-1-pyrrolidinyl)-chinolon-and-naphthyridon carboxylic acids BAYER AG (DE) 1990-10-10 EP claimed
CN-111655681-B Heterocyclylamino-substituted triazoles as modulators of Rho-related protein kinases 莱德克斯制药公共有限公司 2024-01-05 CN disclosed
WO-2023133225-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-07-13 WO disclosed
WO-2023102231-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
US-20230167094-A1 H4 ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2023-06-01 US disclosed
EP-4139300-A1 H4 ANTAGONIST COMPOUNDS Heptares Therapeutics Limited (GB) 2023-03-01 EP disclosed
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2022-05-24 US disclosed
WO-2021214469-A1 H4 ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2021-10-28 WO disclosed
US-20200361942-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2020-11-19 US disclosed
CN-106986869-A Compounds and methods for for antiviral therapy 吉利德科学公司 2017-07-28 CN disclosed
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED 2011-05-19 US disclosed
CN-102015684-A Bi-pyridylpyridones as melanin concentrating hormone receptor 1 antagonists GLAXO GROUP LTD 2011-04-13 CN disclosed
EP-2231646-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009076387-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
WO-2009076387-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
US-20090011354-A1 ELECTROSTATIC IMAGE DEVELOPING TONER, INVISIBLE INFORMATION TONER, ELECTROSTATIC IMAGE DEVELOPER, PROCESS CARTRIDGE AND IMAGE FORMATION APPARATUS FUJI XEROX CO., LTD. (JP) 2009-01-08 US disclosed
EP-1945646-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Cellzome (UK) Ltd. (GB) 2008-07-23 EP disclosed
WO-2007090853-A1 ENANTIOMERS OF AMINO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-08-16 WO disclosed
WO-2007039467-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-04-12 WO disclosed
EP-0391169-A2 Enantiomeric pure 7-(3-amino-1-pyrrolidinyl)-chinolon-and-naphthyridon carboxylic acids BAYER AG (DE) 1990-10-10 EP 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-20200361942-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) RRP15, MAVS, ACE EPHX1 2081/4885KCNH2 1988/4885MAPK1 1783/4885
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) RRP15, MAVS, ACE EPHX1 2081/4885KCNH2 1988/4885MAPK1 1783/4885
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R EPHX1 1947/4885KCNH2 3309/4885MAPK1 1096/4885
US-20230167094-A1 H4 ANTAGONIST COMPOUNDS HRH4, HRH3, HRH2 EPHX1 1723/4885KCNH2 400/4885MAPK1 4231/4885

“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.