SCHEMBL19670620

SCHEMBL19670620

CCN1CCCN(C(=O)Nc2cncnc2)c2nc(-c3ccnc(C)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ WNT3A P56704 12/20 0.38
▸ CYP11B2 P19099 1/20 0.36
▸ GRM5 P41594 2/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ ABL1 P00519 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
SCHEMBL19670352 0.92 HTR2C (0.47) HTR2AHTR2C
SCHEMBL19706092 0.91 CYP11B2 (0.37) HTR2AHTR2CWNT3ACYP11B2GRM5
SCHEMBL19670565 0.90 WNT3A (0.37) HTR2AHTR2CWNT3ACYP11B2PSEN1
SCHEMBL19670453 0.88 HTR2C (0.36) HTR2AHTR2C
SCHEMBL19670622 0.88 CSF1R (0.40) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL19670124 0.87 WNT3A (0.40) WNT3ACYP11B2GRM5
SCHEMBL19670569 0.87 FAAH (0.36) WNT3ACYP11B2ABL1
SCHEMBL19670591 0.84 FGFR4 (0.42) WNT3AGRM5
SCHEMBL19670435 0.84 WNT3A (0.36) WNT3ACYP11B2GRM5ABL1
SCHEMBL19670532 0.83 FAAH (0.41) 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 HTR2A 4386/4885HTR2C 4651/4885WNT3A 4291/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2A 4669/4885HTR2C 4746/4885WNT3A 4543/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HTR2A 4386/4885HTR2C 4651/4885WNT3A 4291/4885

“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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