SCHEMBL17618732

SCHEMBL17618732

Cn1nccc1-c1ccc2c(n1)N(C(=O)Nc1cccnc1)[C@H]1CCN2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP2D6 P10635 3/20 0.42
▸ PORCN Q9H237 1/20 0.42
▸ MAPT P10636 2/20 0.39
▸ HTR2C P28335 8/20 0.38
▸ HTR2A P28223 7/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ MTOR P42345 2/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ PKM P14618 2/20 0.37
▸ THPO P40225 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HIF1A Q16665 2/20 0.37

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
SCHEMBL19361188 0.86 HTR2A (0.39) ALDH1A1NAMPTSMN1; SMN2CYP2D6MAPT
SCHEMBL19361181 0.86 ABL1 (0.35) CYP2D6PORCNKDM4E
SCHEMBL17618626 0.86 MCL1 (0.46) ALDH1A1NAMPTMAPTHTR2CHTR2A
SCHEMBL17618698 0.84 HTR2C (0.39) ALDH1A1NAMPTSMN1; SMN2CYP2D6MAPT
SCHEMBL16754622 0.83 HTR2C (0.40) ALDH1A1MAPTHTR2CHTR2API4KB
SCHEMBL16754587 0.82 HTR2C (0.38) ALDH1A1SMN1; SMN2CYP2D6MAPTHTR2C
SCHEMBL17618699 0.82 NAMPT (0.46) ALDH1A1NAMPTCYP2D6MAPTHTR2C
SCHEMBL16238607 0.82 NAMPT (0.47) NAMPTHTR2CHTR2APIK3CAMTOR
SCHEMBL19699039 0.82 HTR2C (0.46) ALDH1A1MAPTHTR2CHTR2A
SCHEMBL17618703 0.82 HTR2C (0.39) ALDH1A1MAPTHTR2CHTR2API4KB

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 ALDH1A1 1910/4885NAMPT 63/4885SMN1; SMN2 2211/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1726/4885NAMPT 74/4885SMN1; SMN2 2122/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ALDH1A1 1726/4885NAMPT 74/4885SMN1; SMN2 2122/4885

“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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