SCHEMBL19670532

SCHEMBL19670532

CCN1CCCN(C(=O)Nc2cccnn2)c2nc(-c3ccnc(C)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 9/20 0.41
▸ WNT3A P56704 8/20 0.40
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 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
SCHEMBL19670591 0.90 FGFR4 (0.42) FAAHWNT3ASIRT2
SCHEMBL19670530 0.89 FAAH (0.41) FAAHCHRM2CHRM4CHRM1CHRM3
SCHEMBL19670569 0.86 FAAH (0.36) FAAHWNT3A
SCHEMBL19670124 0.86 WNT3A (0.40) WNT3A
SCHEMBL19670352 0.85 HTR2C (0.47) —
SCHEMBL19670620 0.83 HTR2A (0.38) WNT3A
SCHEMBL19706092 0.83 CYP11B2 (0.37) WNT3ADYRK1A
SCHEMBL19670435 0.82 WNT3A (0.36) WNT3A
SCHEMBL20733192 0.82 PIK3CA (0.39) WNT3A
SCHEMBL19670622 0.82 CSF1R (0.40) WNT3A

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 (3 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885WNT3A 4291/4885CHRM2 4145/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 1283/4885WNT3A 4543/4885CHRM2 4303/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885WNT3A 4291/4885CHRM2 4145/4885

“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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