SCHEMBL19699628

SCHEMBL19699628

Cc1cncc(-c2ccc3c(n2)N[C@H]2CCN3C2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ PIM1 P11309 2/20 0.35
▸ PIM3 Q86V86 2/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ CYP11B2 P19099 4/20 0.35
▸ CYP11B1 P15538 3/20 0.35
▸ DGAT2 Q96PD7 1/20 0.34
▸ SSTR2 P30874 2/20 0.33
▸ LRRK2 Q5S007 4/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.32

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
SCHEMBL16250016 0.93 DGAT2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4PDE10A
SCHEMBL17768271 0.85 MTOR (0.39) PDE10A
SCHEMBL16238790 0.81 ROCK2 (0.37) CHRNB4CHRNA3PDE10APIM1CYP11B2
SCHEMBL16754340 0.81 KCNH2 (0.40) PDE10APIM1KCNH2
SCHEMBL17778241 0.81 KCNH2 (0.40) PDE10APIM1KCNH2
SCHEMBL16238772 0.81 ROCK2 (0.43) CHRNB4CHRNA3PDE10APIM1CYP11B2
SCHEMBL16238743 0.80 DGAT2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4PIM1
SCHEMBL16754650 0.79 USP30 (0.40) PDE10ACYP11B2USP30
SCHEMBL17768048 0.79 USP30 (0.40) PDE10ACYP11B2USP30
SCHEMBL16239247 0.79 USP30 (0.40) PDE10ACYP11B2USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — 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 (1 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 CHRNB2 4378/4885CHRNB4 4538/4885CHRNA3 4404/4885

“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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