SCHEMBL19699523

SCHEMBL19699523

CC(C)C(=O)Nc1cc(N2CCOCC2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.49
MAPT P10636 3/20 0.48
GSK3B P49841 2/20 0.48
CHEK1 O14757 4/20 0.48
PSEN1 P49768 4/20 0.48
PSEN2 P49810 4/20 0.48
APH1B Q8WW43 4/20 0.48
NCSTN Q92542 4/20 0.48
APH1A Q96BI3 4/20 0.48
PSENEN Q9NZ42 4/20 0.48
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
MAPK10 P53779 2/20 0.45
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44

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
SCHEMBL19699556 0.88 MAPT (0.57) MAPTCHEK1ALDH1A1NPSR1
SCHEMBL19706560 0.85 ADORA2A (0.59) MTORMAPTGSK3BCHEK1ADORA2A
SCHEMBL25292457 0.84 MTOR (0.53) MTORMAPTGSK3BCHEK1ALDH1A1
SCHEMBL19699589 0.80 MAPT (0.45) MAPTGSK3B
SCHEMBL26550554 0.80 HRH4 (0.59) CHEK1MAPK10
SCHEMBL25776011 0.79 PRKDC (0.47) MTORMAPTGSK3BCHEK1ADORA2A
SCHEMBL19699528 0.79 IDH1 (0.50) MAPTGSK3B
SCHEMBL25769210 0.78 CHEK1 (0.53) MTORMAPTCHEK1ALDH1A1MAPK10
SCHEMBL19392315 0.76 MAPT (0.77) MAPTALDH1A1NPSR1
SCHEMBL19699529 0.74 TYK2 (0.45) MAPTGSK3BALDH1A1MAPK10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MTOR 395/4885MAPT 306/4885GSK3B 2322/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MTOR 363/4885MAPT 290/4885GSK3B 2340/4885

“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.