SCHEMBL5083323

SCHEMBL5083323

CCC(N)(N)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
SHBG P04278 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL2067553 0.79 CYP1A2 (0.37) CYP1A2SHBGMEN1ALDH1A1LMNA
SCHEMBL1030996 0.79 CYP1A2 (0.37) CYP1A2SHBGMEN1ALDH1A1LMNA
SCHEMBL17976970 0.77 CYP1A2 (0.36) CYP1A2SHBGMEN1ALDH1A1LMNA
SCHEMBL28229024 0.77 CYP1A2 (0.46) CYP1A2SIGMAR1
SCHEMBL13640032 0.76 CYP1A2 (0.33) CYP1A2
SCHEMBL4977291 0.75 CYP1A2 (0.34) CYP1A2SHBGMEN1ALDH1A1LMNA
SCHEMBL28893956 0.75 CYP1A2 (0.45) CYP1A2SIGMAR1
SCHEMBL20307871 0.74 LMNA (0.32) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL26257483 0.74 CYP1A2 (0.32) CYP1A2MEN1ALDH1A1LMNAALOX12
Oxirane SCHEMBL28775525 0.73 CYP1A2 (0.34) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898756-B1 CURABLE POLYMERIC COMPOSITIONS HAVING IMPROVED OXYGEN BARRIER PROPERTIES GETTERS SPA (IT) 2022-06-29 EP claimed
CN-107921656-A Processed porous material 陶氏环球技术有限责任公司 2018-04-17 CN claimed
CN-103724992-B Molding compounds, produce the method for product, the application based on ethene and butylene copolymer and by its obtainable product 朗盛德国有限责任公司 2017-11-24 CN claimed
EP-3180381-B1 CURABLE ADHESIVE COMPOSITIONS FOR FLEXIBLE SUBSTRATES GETTERS SPA (IT) 2017-11-22 EP claimed
CN-102585490-B The flame-retardant polyamide composition filled with ground glass 朗盛德国有限责任公司 2017-07-21 CN claimed
CN-102952395-B There is the thermoplastic molding compoistions of the hydrolysis toleration of increase 朗盛德国有限责任公司 2016-07-06 CN claimed
CN-103221216-B Multi-layer thermoplastic semi-finished fiber matrix product LANXESS DEUTSCHLAND GMBH (DE) 2015-10-14 CN claimed
US-7361713-B2 Blush resistant adhesives used in bottle labeling AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-04-22 US claimed
CN-1814685-A Blush resistant adhesives used in bottle labeling AIR PRODUCTS POLYMERS LP (US) 2006-08-09 CN claimed
US-20060135696-A1 Blush resistant adhesives used in bottle labeling ARKEMA FRANCE (FR) 2006-06-22 US claimed
EP-1672045-A2 Blush resistant adhesives used in bottle labeling AIR PRODUCTS POLYMERS, L.P. (US) 2006-06-21 EP claimed
CN-119137180-A Latent amine compositions for flame retardant epoxy systems 赢创运营有限公司 2024-12-13 CN disclosed
EP-3622007-B1 POLYAMIDE TERPOLYMERS FOR MANUFACTURE OF TRANSPARENT ARTICLES ADVANSIX RESINS & CHEMICALS LLC (US) 2024-10-23 EP disclosed
US-11629166-B2 Compound for treating clostridium difficile ASTON UNIVERSITY (GB) 2023-04-18 US disclosed
US-20200131223-A1 COMPOUND FOR TREATING CLOSTRIDIUM DIFFICILE INSIGHT HEALTH LIMITED 2020-04-30 US disclosed
EP-0542766-B1 PROCESS FOR PRODUCING CLOSURES OF PACKAGING CONTAINERS BASF LACKE & FARBEN (DE) 1996-01-24 EP disclosed
EP-0542766-A1 PROCESS FOR PRODUCING CLOSURES OF PACKAGING CONTAINERS. BASF LACKE & FARBEN (DE) 1993-05-26 EP disclosed
WO-1992002592-A1 PROCESS FOR PRODUCING CLOSURES OF PACKAGING CONTAINERS BASF LACKE + FARBEN AKTIENGESELLSCHAFT (DE) 1992-02-20 WO disclosed
US-4581209-A N-aminoalkyl alkylpiperazine promoted acid gas scrubbing process EXXON RESEARCH AND ENGINEERING CO. (US) 1986-04-08 US disclosed
US-4046725-A NON-THROMBOGENIC RHONE-POULENC INDUSTRIES (FR) 1977-09-06 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 (2 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-11629166-B2 Compound for treating clostridium difficile DSTN, DAD1, DDOST CYP1A2 1116/4885SHBG 4087/4885MEN1 2594/4885
US-20200131223-A1 COMPOUND FOR TREATING CLOSTRIDIUM DIFFICILE DSTN, DAD1, DDOST CYP1A2 1116/4885SHBG 4087/4885MEN1 2594/4885

“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.