SCHEMBL4392768

SCHEMBL4392768

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ SCN1A P35498 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SCN2A Q99250 1/20 0.56
▸ SCN3A Q9NY46 1/20 0.56
▸ CHRM3 P20309 7/20 0.44
▸ CHRM2 P08172 4/20 0.44
▸ CHRM1 P11229 4/20 0.44
▸ DCUN1D1 Q96GG9 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ SLC18A3 Q16572 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ JAK3 P52333 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
SCHEMBL22634040 0.78 MEN1 (0.49) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL15862101 0.76 MEN1 (0.47) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL9944022 0.72 MEN1 (0.57) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL959566 0.72 KMT2A (0.57) HRH1MEN1LMNACYP2D6SCN1A
Azacyclonol SCHEMBL241817 0.72 HRH1 (1.00) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL14800103 0.71 SSTR4 (0.48) HRH1MEN1LMNACYP2D6SCN1A
Azacyclonol SCHEMBL6135637 0.70 HRH1 (0.96) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL3951181 0.70 CYP2D6 (0.70) HRH1MEN1LMNACYP2D6SCN1A
Azacyclonol SCHEMBL1890138 0.70 HRH1 (0.96) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL22373477 0.70 MEN1 (0.47) HRH1MEN1LMNACYP2D6SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 — — US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 — — US disclosed
US-20040110229-A1 Muscarinic receptor antagonists PNC BANK, NATIONAL ASSOCIATION 2004-06-10 — — US disclosed
US-6693202-B1 MULTIBINDING LIGANDS CONTAINING SUCH AS AMINE, AMIDE, ESTER, HYDROXYL, CARBAMATE, UREA AND/OR IMINO FUNCTIONALITY THERAVANCE, INC. 2004-02-17 — — 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-20040110229-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 HRH1 72/4885MEN1 3774/4885LMNA 4772/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 HRH1 72/4885MEN1 3774/4885LMNA 4772/4885

“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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