SCHEMBL4040278

SCHEMBL4040278

CC1CCCC(C)(C)C1.N=C=O

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39

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
SCHEMBL7768431 1.00 CYP1A2 (0.39) CYP1A2
SCHEMBL2152023 1.00 CYP1A2 (0.39) CYP1A2
SCHEMBL14720558 1.00 CYP1A2 (0.39) CYP1A2
Methane SCHEMBL27984748 0.98 CYP1A2 (0.38) CYP1A2
SCHEMBL9345337 0.91 CYP1A2 (0.34) CYP1A2
Isothiocyanate SCHEMBL6155860 0.88 CYP1A2 (0.35) CYP1A2
SCHEMBL21088951 0.87
SCHEMBL17634027 0.87
SCHEMBL56901 0.87
SCHEMBL4819466 0.87

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108610481-B Polythiol composition having improved long-term storage stability and optical lens using the same SKC株式会社 2021-04-13 CN disclosed
CN-108610480-B Method for producing polythiol for optical lens using metal sulfide SKC株式会社 2021-03-12 CN disclosed
CN-104884509-B Bidirectional shape memory polymer, its production method and application 亥姆霍兹中心盖斯特哈赫特材料及海岸研究中心有限公司 2018-01-23 CN disclosed
EP-1409468-B9 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-29 EP disclosed
EP-1409468-B1 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 EP disclosed
CN-101173114-A Solid formaldehyde-free pigment preparations EVONIK DEGUSSA GMBH (DE) 2008-05-07 CN disclosed
US-6995269-B2 Guanidinobenzamides CHIRON CORPORATION (US) 2006-02-07 US disclosed
EP-1409468-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-04-21 EP disclosed
US-6638927-B2 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl) -ethyl)-benzamide for example CHIRON CORPORATION 2003-10-28 US disclosed
US-20030199499-A1 Novel guanidinobenzamides CHIRON CORPORATION 2003-10-23 US disclosed
US-20020137939-A1 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl)-ethyl)-benzamide for example CHIRON CORPORATION 2002-09-26 US disclosed
WO-2002018327-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2002-03-07 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 (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-20030199499-A1 Novel guanidinobenzamides GUCY1B2, GPR119, GUCY1B1 CYP1A2 1021/4885
US-20020137939-A1 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl)-ethyl)-benzamide for example MC4R, MC5R, MC3R CYP1A2 1403/4885

“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.