SCHEMBL22403025

SCHEMBL22403025

COC(=O)CCCC/C=C(\COc1cccc2ccccc12)C(=O)NCCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 3/20 0.45
▸ CNR2 P34972 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ OGG1 O15527 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ BTN3A1 O00481 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL25500010 0.91 HTR1B (0.43) HTR1BALDH1A1KDM4EHPGDTDP1
Cg-200745 SCHEMBL16166645 0.90 HTR1B (0.44) HTR1BALDH1A1KDM4EHPGDTDP1
Cg-200745 SCHEMBL16166647 0.90 HTR1B (0.44) HTR1BALDH1A1KDM4EHPGDTDP1
Cg-200745 SCHEMBL29352975 0.90 HTR1B (0.44) HTR1BALDH1A1KDM4EHPGDTDP1
Cg-200745 SCHEMBL29761004 0.90 HTR1B (0.44) HTR1BALDH1A1KDM4EHPGDTDP1
Cg-200745 SCHEMBL29761007 0.89 HTR1B (0.43) HTR1BALDH1A1KDM4EHPGDTDP1
SCHEMBL1306561 0.88 CNR2 (0.47) HTR1BCNR2ALDH1A1KDM4EHPGD
SCHEMBL1306558 0.88 CNR2 (0.47) HTR1BCNR2ALDH1A1KDM4EHPGD
SCHEMBL1308955 0.88 CNR2 (0.41) HTR1BCNR2ALDH1A1KDM4EHPGD
SCHEMBL1308954 0.88 CNR2 (0.41) HTR1BCNR2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655207-B2 Pharmaceutically acceptable salt of alkylcarbamoyl naphthalenyloxy octenoylhydroxy amide or of derivative thereof and method for preparing same CRYSTALGENOMICS, INC. (KR) 2023-05-23 — — US disclosed
US-11655207-B2 Pharmaceutically acceptable salt of alkylcarbamoyl naphthalenyloxy octenoylhydroxy amide or of derivative thereof and method for preparing same CRYSTALGENOMICS, INC. (KR) 2023-05-23 — — US disclosed
US-20200283371-A1 PHARMACEUTICALLY ACCEPTABLE SALT OF ALKYLCARBAMOYL NAPHTHALENYLOXY OCTENOYLHYDROXYAMIDE OR OF DERIVATIVE THEREOF AND METHOD FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2020-09-10 — — 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-11655207-B2 Pharmaceutically acceptable salt of alkylcarbamoyl naphthalenyloxy octenoylhydroxy amide or of derivative thereof and method for preparing same DOHH, CYP51A1, ASAH2 HTR1B 2869/4885CNR2 208/4885ALDH1A1 851/4885
US-20200283371-A1 PHARMACEUTICALLY ACCEPTABLE SALT OF ALKYLCARBAMOYL NAPHTHALENYLOXY OCTENOYLHYDROXYAMIDE OR OF DERIVATIVE THEREOF AND METHOD FOR PREPARING SAME DOHH, CYP51A1, CYP46A1 HTR1B 2625/4885CNR2 201/4885ALDH1A1 690/4885

“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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