SCHEMBL17618667

SCHEMBL17618667

N#Cc1ccccc1-c1ccc2c(n1)N(C(=O)Nc1ccncn1)[C@H]1CCCN2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 6/20 0.37
▸ UCHL1 P09936 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ PIM3 Q86V86 3/20 0.36
▸ PIM1 P11309 3/20 0.36
▸ LRRK2 Q5S007 2/20 0.36
▸ AR P10275 1/20 0.36
▸ FAAH O00519 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ CDC42BPB Q9Y5S2 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
SCHEMBL17618668 0.91 CHRM4 (0.36) PIM2UCHL1CHRM4PIM3PIM1
SCHEMBL17618672 0.89 PIM2 (0.38) PIM2UCHL1PIM3PIM1LRRK2
SCHEMBL17618651 0.86 FAAH (0.37) PIM2UCHL1PIM3PIM1LRRK2
SCHEMBL17618662 0.86 FAAH (0.39) PIM2LRRK2FAAHDPP4ABL1
SCHEMBL17618660 0.85 HTR2C (0.43) PIM2CHRM4PIM3PIM1AR
SCHEMBL17618587 0.84 USP30 (0.42) LRRK2PRKCQ
SCHEMBL17618721 0.83 PIM1 (0.40) PIM2PIM3PIM1ROCK2ROCK1
SCHEMBL17618755 0.83 GSK3B (0.38) PIM2CHRM4PIM3ARGSK3B
SCHEMBL17618675 0.83 PIM3 (0.46) PIM2PIM3PIM1LRRK2FAAH
SCHEMBL17618658 0.81 PIM2 (0.37) PIM2UCHL1CHRM4PIM3PIM1

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 PIM2 3491/4885UCHL1 1173/4885CHRM4 4629/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM2 3242/4885UCHL1 1020/4885CHRM4 4421/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIM2 3242/4885UCHL1 1020/4885CHRM4 4421/4885

“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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