SCHEMBL2601778

SCHEMBL2601778

CCCCCCCC(C#N)CC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.41
DNM1 Q05193 2/20 0.40
THRB P10828 1/20 0.40
OPRM1 P35372 1/20 0.39
GPR84 Q9NQS5 3/20 0.37
FDPS P14324 3/20 0.37
SPHK1 Q9NYA1 1/20 0.37
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35

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
SCHEMBL12939814 1.00 TSHR (0.42) TSHRLMNADNM1THRBOPRM1
SCHEMBL8644486 1.00 TSHR (0.42) TSHRLMNADNM1THRBOPRM1
SCHEMBL29525101 0.98 TSHR (0.40) TSHRLMNADNM1THRBOPRM1
SCHEMBL1960012 0.97 TSHR (0.43) TSHRLMNADNM1THRBOPRM1
Hydrochloric Acid SCHEMBL29189739 0.95 TSHR (0.42) TSHRLMNADNM1THRBOPRM1
Hydrochloric Acid SCHEMBL5480968 0.95 TSHR (0.42) TSHRLMNADNM1THRBOPRM1
SCHEMBL7158134 0.90 TSHR (0.42) TSHRLMNADNM1OPRM1
SCHEMBL24044418 0.90 TSHR (0.46) TSHRLMNADNM1THRBOPRM1
SCHEMBL13601912 0.90 TSHR (0.46) TSHRLMNADNM1THRBOPRM1
SCHEMBL985792 0.90 TSHR (0.46) TSHRLMNADNM1THRBOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113264915-A Method for synthesizing 1- (1, 4-dioxaspiro [4,5] decane-8-yl) ethanone 南京爱可德夫科技开发有限公司 2021-08-17 CN claimed
CN-113121781-A Preparation method of self-repairable thermosetting film based on multi-component Ugi polymerization reaction and dynamic oxime urethane bond exchange 西北工业大学 2021-07-16 CN claimed
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 EP disclosed
WO-2024109923-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2024-05-30 WO disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 CN disclosed
CN-114315834-B Imidazolone derivatives and their use in medicine 成都百裕制药股份有限公司 2024-01-05 CN disclosed
CN-116724024-A Process for preparing platinib 缆图药品公司 2023-09-08 CN disclosed
CN-116669741-A Polycyclic kinase inhibitors 山东轩竹医药科技有限公司 2023-08-29 CN disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 CN disclosed
CN-116406272-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2023-07-07 CN disclosed
US-20230183222-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-15 US disclosed
WO-2017121647-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
WO-2017121646-A1 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
WO-2017121649-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
WO-2017121648-A1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
US-20170197971-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-8163775-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2012-04-24 US disclosed
WO-2011036478-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-03-31 WO disclosed
US-5834499-A TREATING GASTROINTESTINAL DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 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 (3 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-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 TSHR 2261/4885LMNA 2991/4885DNM1 1385/4885
US-20170197971-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 TSHR 3065/4885LMNA 1276/4885DNM1 1621/4885
US-20230183222-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 TSHR 2683/4885LMNA 2008/4885DNM1 1554/4885

“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.