SCHEMBL9295790

SCHEMBL9295790

CCCC(C(N)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.59
LMNA P02545 3/20 0.59
CYP2D6 P10635 3/20 0.59
CHRM2 P08172 3/20 0.59
KCNH2 Q12809 3/20 0.59
CHRM1 P11229 1/20 0.59
KDM4E B2RXH2 2/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
OPRM1 P35372 5/20 0.53
DRD3 P35462 3/20 0.53
DRD2 P14416 1/20 0.53
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
SCN1A P35498 3/20 0.51
SCN2A Q99250 3/20 0.51
SCN3A Q9NY46 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51

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
SCHEMBL2205198 0.90 CHRM3 (0.51) CHRM3LMNACYP2D6CHRM2KCNH2
SCHEMBL2984162 0.89 CHRM3 (0.56) CHRM3LMNACYP2D6CHRM2KCNH2
Hydrochloric Acid SCHEMBL30448099 0.87 CHRM3 (0.55) CHRM3LMNACYP2D6CHRM2KCNH2
SCHEMBL18994329 0.86 OPRM1 (0.69) CHRM3LMNACYP2D6CHRM2KCNH2
SCHEMBL7643094 0.86 CHRM3 (0.54) CHRM3LMNACYP2D6CHRM2KCNH2
SCHEMBL18248596 0.86 CHRM3 (0.54) CHRM3LMNACYP2D6CHRM2KCNH2
SCHEMBL18248486 0.86 CHRM3 (0.54) CHRM3LMNACYP2D6CHRM2KCNH2
Methane SCHEMBL5604947 0.85 OPRM1 (0.67) CHRM3LMNACYP2D6CHRM2KCNH2
SCHEMBL1614867 0.84 CYP2C19 (0.54) CHRM3LMNACYP2D6CHRM2KCNH2
SCHEMBL4030430 0.84 MAPT (0.55) CHRM3LMNACYP2D6CHRM2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574056-B Synthetic method of alpha, alpha-difluoro-gamma-hydroxyacetamide derivative 浙江工业大学 2022-11-04 CN disclosed
CN-112574056-A Synthetic method of alpha, alpha-difluoro-gamma-hydroxyacetamide derivative 浙江工业大学 2021-03-30 CN disclosed
US-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 US disclosed
US-5288905-A Glycyl urea derivatives as anti-convulsants G. D. SEARLE & CO. (US) 1994-02-22 US disclosed
US-5278191-A Nervous system disorders G. D. SEARLE & CO. (US) 1994-01-11 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 (1 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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK CHRM3 2400/4885LMNA 1556/4885CYP2D6 453/4885

“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.