SCHEMBL17618519

SCHEMBL17618519

Cc1ccc(-c2ccc3c(n2)N(C(=O)Nc2ccc(F)cn2)[C@H]2CCN3C2)cn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 3/20 0.43
▸ PIK3CA P42336 3/20 0.38
▸ MTOR P42345 3/20 0.38
▸ DEGS1 O15121 1/20 0.38
▸ ABL1 P00519 4/20 0.38
▸ NPY5R Q15761 3/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ PORCN Q9H237 1/20 0.36
▸ GRM5 P41594 2/20 0.36
▸ BRD4 O60885 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
SCHEMBL17618513 0.90 HCRTR1 (0.42) SCDABL1GRM5
SCHEMBL17618391 0.89 SCD (0.41) SCDDEGS1ABL1NPY5R
SCHEMBL17618510 0.87 PIK3CA (0.41) PIK3CAMTORABL1GRM5
SCHEMBL16754408 0.86 PIK3CA (0.39) SCDPIK3CAMTORABL1CYP3A4
SCHEMBL17618518 0.85 PIK3CA (0.39) PIK3CAMTOR
SCHEMBL17618499 0.85 GRM5 (0.39) SCDGRM5
SCHEMBL17618541 0.85 SCD (0.38) SCDDEGS1ABL1CYP3A4PORCN
SCHEMBL19670516 0.85 SCD (0.38) SCDDEGS1ABL1NPY5RGRM5
SCHEMBL17618376 0.85 GRM5 (0.39) SCDGRM5
SCHEMBL17618682 0.84 GSK3B (0.39) PIK3CAMTORCYP3A4PORCNGRM5

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 9 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SCD 928/4885PIK3CA 4235/4885MTOR 442/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SCD 1014/4885PIK3CA 3691/4885MTOR 433/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SCD 1014/4885PIK3CA 3691/4885MTOR 433/4885

“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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