SCHEMBL19670511

SCHEMBL19670511

CN1CCCNc2nc(-c3cccc(Cl)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
HTR2B P41595 2/20 0.41
HTR3A P46098 2/20 0.41
HTR6 P50406 2/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
IDO1 P14902 1/20 0.40
HTR2C P28335 2/20 0.39
HTR5A P47898 1/20 0.39
CDK4 P11802 1/20 0.39
CCND3 P30281 1/20 0.39
GSK3B P49841 1/20 0.39
CAMK2D Q13557 1/20 0.39

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
SCHEMBL1816731 0.85 GAK (0.38) HTR1AHTR2AHTR7HTR2BHTR3A
SCHEMBL19365271 0.82 KDM1A (0.44) MEN1RAB9AGFERKMT2AIDO1
SCHEMBL19365524 0.76 MEN1 (0.48) MEN1RAB9AGFERKMT2AHTR2A
SCHEMBL12653760 0.75 PARP1 (0.47) MEN1KMT2AIDO1CNR2ALDH1A1
SCHEMBL1813468 0.74 PARP10 (0.42) RAB9AIDO1HTR2CALDH1A1HPGD
SCHEMBL1819471 0.74 CYP1A2 (0.41) KMT2AALDH1A1HPGDHSD11B1PDE4D
SCHEMBL1810086 0.73 PGR (0.40) IDO1CAMK2DADORA3ADORA1ADORA2B
SCHEMBL20632326 0.73 HSD11B1 (0.39) HRH4HTR2CCDK4CCND3GSK3B
SCHEMBL17655410 0.72 JAK2 (0.40) IDO1HTR2CCNR2ADORA3ADORA1
SCHEMBL20632072 0.72 PIM1 (0.38) MEN1RAB9AGFERKMT2ALRRK2

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MEN1 3505/4885RAB9A 1244/4885GFER 1584/4885

“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.