SCHEMBL19738702

SCHEMBL19738702

CCCCCCCC(C)(CCCC)c1ccnnc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 0.37
▸ CNR1 P21554 10/20 0.37
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL18869370 1.00 CNR2 (0.37) CNR2CNR1ESR1ESR2TDP1
SCHEMBL21191796 0.98 CNR2 (0.38) CNR2CNR1TDP1L3MBTL1
SCHEMBL21884674 0.98 CNR2 (0.38) CNR2CNR1TDP1L3MBTL1
SCHEMBL21191600 0.98 CNR2 (0.38) CNR2CNR1TDP1L3MBTL1
SCHEMBL22024290 0.97 CNR2 (0.36) CNR2CNR1ESR1ESR2TDP1
SCHEMBL19738148 0.95 ESR1 (0.35) CNR2CNR1ESR1ESR2TDP1
SCHEMBL21718495 0.92 CNR2 (0.36) CNR2CNR1TDP1L3MBTL1
SCHEMBL19738659 0.92 ESR1 (0.33) CNR2CNR1ESR1ESR2
SCHEMBL19738625 0.88 ESR1 (0.33) CNR2CNR1ESR1ESR2
SCHEMBL19738629 0.85 CNR2 (0.47) CNR2CNR1

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-10336735-B2 Small molecule inhibitors of fibrosis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-07-02 — — US disclosed
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2017-12-21 — — 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-10336735-B2 Small molecule inhibitors of fibrosis MMP1, COL2A1, MMP8 CNR2 3947/4885CNR1 4011/4885ESR1 3730/4885
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 CNR2 3947/4885CNR1 4011/4885ESR1 3730/4885

“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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