Sugi Predict

Sugi Predict / Compounds / SCHEMBL421960

SCHEMBL421960

SCHEMBL421960

NC(CNCc1ccccc1)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.61
▸ OPRD1 P41143 2/20 0.57
▸ OPRK1 P41145 2/20 0.57
▸ ANPEP P15144 2/20 0.54
▸ MMP2 P08253 3/20 0.53
▸ BCHE P06276 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ CYP2D6 P10635 1/20 0.48
▸ SLC6A2 P23975 2/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47
▸ MAOA P21397 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ ADORA1 P30542 1/20 0.47

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
SCHEMBL421959 1.00 EPHX1 (0.61) EPHX1OPRD1OPRK1ANPEPMMP2
SCHEMBL11121889 0.98 EPHX1 (0.59) EPHX1OPRD1OPRK1ANPEPMMP2
SCHEMBL17710346 0.89 MEN1 (0.59) EPHX1OPRD1OPRK1ANPEPMMP2
SCHEMBL23529709 0.87 MMP2 (0.57) EPHX1OPRD1OPRK1ANPEPMMP2
SCHEMBL23529711 0.87 MMP2 (0.57) EPHX1OPRD1OPRK1ANPEPMMP2
SCHEMBL9922124 0.86 DNM1 (0.51) EPHX1OPRD1OPRK1ANPEPMMP2
SCHEMBL20237224 0.84 ANPEP (0.54) EPHX1OPRD1OPRK1ANPEPBCHE
SCHEMBL1408234 0.82 ANPEP (0.57) EPHX1OPRD1OPRK1ANPEPBCHE
SCHEMBL1408236 0.82 ANPEP (0.57) EPHX1OPRD1OPRK1ANPEPBCHE
SCHEMBL2605624 0.82 BCHE (0.61) EPHX1OPRD1OPRK1ANPEPMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111699189-B Modulators of beta-3 adrenergic receptors useful for treating or preventing heart failure and disorders associated therewith 艾尼纳制药公司 2025-02-18 — — CN disclosed
CN-114805311-B Spirocyclic indenes 苏州亚盛药业有限公司 2024-10-29 — — CN disclosed
CN-118556059-A Heterocyclic compounds for the treatment of cancer 阿提奥斯医药有限公司 2024-08-27 — — CN disclosed
US-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2024-06-06 — — US disclosed
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 — — CN disclosed
WO-2024079623-A1 TRICYCLIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2024-04-18 — — WO disclosed
CN-109563103-B Modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto 艾尼纳制药公司 2022-05-27 — — CN disclosed
CN-113272271-A Cannabigerol quinone acid and salts thereof 埃默拉尔德健康制药公司 2021-08-17 — — CN disclosed
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2020-10-29 — — US disclosed
US-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2019-08-15 — — US disclosed
CN-104230795-A Method for producting pyrone and pyridone derivatives SHIONOGI & CO 2014-12-24 — — CN disclosed
US-8865907-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2014-10-21 — — US disclosed
US-20130197219-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2013-08-01 — — US disclosed
EP-2620436-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG Shionogi&Co., Ltd. (JP) 2013-07-31 — — EP disclosed
CN-103228653-A Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO 2013-07-31 — — CN disclosed
CN-102803260-A Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO 2012-11-28 — — CN disclosed
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 — — US disclosed
EP-2444400-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-04-25 — — EP disclosed
US-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 — — US disclosed
WO-2010136035-A2 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 — — 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 (6 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-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 EPHX1 1568/4885OPRD1 4062/4885OPRK1 3861/4885
US-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 EPHX1 1340/4885OPRD1 3680/4885OPRK1 3867/4885
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 EPHX1 2439/4885OPRD1 4107/4885OPRK1 4185/4885
US-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 EPHX1 1568/4885OPRD1 4062/4885OPRK1 3861/4885
US-20130197219-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 EPHX1 1568/4885OPRD1 4062/4885OPRK1 3861/4885
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PREP, UNG, DPP4 EPHX1 1486/4885OPRD1 4051/4885OPRK1 3887/4885

“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.