SCHEMBL14222420

SCHEMBL14222420

COC(=O)N[C@@H]1CCNC1

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
SCHEMBL1778461 1.00 EPHX1 (0.47) EPHX1KCNH2MAPK1OPRK1POLB
Hydrochloric Acid SCHEMBL17560597 0.98 EPHX1 (0.45) EPHX1KCNH2MAPK1OPRK1POLB
Hydrochloric Acid SCHEMBL17560406 0.98 EPHX1 (0.45) EPHX1KCNH2MAPK1OPRK1POLB
Hydrochloric Acid SCHEMBL17560408 0.98 EPHX1 (0.45) EPHX1KCNH2MAPK1OPRK1POLB
SCHEMBL27714012 0.89 MAPK1 (0.55) EPHX1MAPK1OPRK1TSHRPARP1
SCHEMBL965984 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886814-A PD-1/PD-L1 small molecule inhibitor and application thereof in medicines 广东东阳光药业股份有限公司 2024-04-16 — — CN disclosed
WO-2023133217-A1 2-(INDAZOL-5-YL)-6-(PIPERIDIN-4-YL)-1,7-NAPHTHYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES REMIX THERAPEUTICS INC. (US) 2023-07-13 — — WO disclosed
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2022-05-24 — — US disclosed
US-11254676-B2 Pyrazole derivative compound and use thereof HANMI PHARM. CO., LTD. (KR) 2022-02-22 — — US disclosed
US-20210009591-A1 PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF HANMI PHARM. CO., LTD. (KR) 2021-01-14 — — US disclosed
US-20200361942-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2020-11-19 — — US disclosed
EP-3681877-A1 PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF Hanmi Pharm. Co., Ltd. (KR) 2020-07-22 — — EP disclosed
WO-2019054766-A1 PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF HANMI PHARM. CO., LTD. (KR) 2019-03-21 — — WO disclosed
CN-103987707-B The base heterocyclic radical benzamide compound of pyrazoles 4 and application method 霍夫曼-拉罗奇有限公司 2017-11-07 — — CN disclosed
CN-103167867-B Solid dispersion containing apoptosis-inducing medicament ABBVIE 公司 2016-12-21 — — CN disclosed
CN-104926810-A Pyrrolopyridines As Kinase Inhibitors ARRAY BIOPHARMA INC 2015-09-23 — — CN disclosed
CN-102089307-B Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2015-07-01 — — CN disclosed
CN-104349777-A Compounds for the treatment of spinal muscular atrophy PTC THERAPEUTICS INC 2015-02-11 — — CN disclosed
CN-102933572-B Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use HOFFMANN LA ROCHE 2015-01-07 — — CN disclosed
CN-103987707-A Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use HOFFMANN LA ROCHE 2014-08-13 — — CN disclosed
CN-103167867-A Solid dispersions containing an apoptosis-inducing agent ABBOTT LAB 2013-06-19 — — CN disclosed
CN-103153993-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2013-06-12 — — CN disclosed
CN-102933572-A Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use HOFFMANN LA ROCHE 2013-02-13 — — CN disclosed
WO-2008041090-A1 MALANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONIST PYRIDINONES PFIZER LIMITED (GB) 2008-04-10 — — WO disclosed
US-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones PFIZER INC 2008-04-10 — — 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 (5 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-20210009591-A1 PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF KDM1A, KDM3A, KDM1B EPHX1 2528/4885KCNH2 1602/4885MAPK1 417/4885
US-20200361942-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) RRP15, MAVS, ACE EPHX1 2081/4885KCNH2 1988/4885MAPK1 1783/4885
US-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones MCHR1, MCHR2, MC1R EPHX1 941/4885KCNH2 3042/4885MAPK1 665/4885
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) RRP15, MAVS, ACE EPHX1 2081/4885KCNH2 1988/4885MAPK1 1783/4885
US-11254676-B2 Pyrazole derivative compound and use thereof KDM1A, KDM3A, KDM1B EPHX1 2528/4885KCNH2 1602/4885MAPK1 417/4885

“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.

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