SCHEMBL22634040

SCHEMBL22634040

O=C(O)NC(C(=O)c1ccccc1)(c1ccccc1)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ SCN1A P35498 1/20 0.49
▸ SCN2A Q99250 1/20 0.49
▸ SCN3A Q9NY46 1/20 0.49
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ CHRM3 P20309 5/20 0.38
▸ CHRM2 P08172 3/20 0.38
▸ CHRM1 P11229 3/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ CES1 P23141 2/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ SSTR4 P31391 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ GBA1 P04062 1/20 0.34

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
SCHEMBL15862101 0.81 MEN1 (0.47) MEN1CYP2D6KMT2ALMNAHRH1
SCHEMBL4392768 0.78 HRH1 (0.56) MEN1CYP2D6KMT2ALMNAHRH1
SCHEMBL1669462 0.71 HRH1 (0.48) MEN1CYP2D6KMT2ALMNAHRH1
SCHEMBL9944022 0.67 MEN1 (0.57) MEN1CYP2D6KMT2ALMNAHRH1
SCHEMBL959566 0.67 KMT2A (0.57) MEN1CYP2D6KMT2ALMNAHRH1
Azacyclonol SCHEMBL241817 0.67 HRH1 (1.00) MEN1CYP2D6KMT2ALMNAHRH1
SCHEMBL408318 0.67 KMT2A (0.66) MEN1CYP2D6KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL1410231 0.66 CHRM3 (0.45) MEN1CYP2D6KMT2ALMNAHRH1
Hydrochloric Acid SCHEMBL1410233 0.66 CHRM3 (0.45) MEN1CYP2D6KMT2ALMNAHRH1
SCHEMBL14800103 0.66 SSTR4 (0.48) MEN1CYP2D6KMT2ALMNAHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970448-B2 Monomers capable of dimerizing in an aqueous solution, and methods of using same CORNELL UNIVERSITY (US) 2024-04-30 — — US disclosed
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 — — 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-11970448-B2 Monomers capable of dimerizing in an aqueous solution, and methods of using same CALCOCO2, MDN1, MBNL1 MEN1 199/4885CYP2D6 4861/4885KMT2A 4317/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 MEN1 199/4885CYP2D6 4861/4885KMT2A 4317/4885

“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.

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