SCHEMBL3538510

SCHEMBL3538510

COc1ncc(N2CC(C)N(Cc3ccccc3)C(C)C2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
CASP1 P29466 1/20 0.47
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
OPRM1 P35372 1/20 0.38
CHRM4 P08173 7/20 0.38
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 2/20 0.36
DRD2 P14416 2/20 0.35
CHRM5 P08912 1/20 0.35
DRD4 P21917 1/20 0.34
PIK3CD O00329 1/20 0.34
HRH2 P25021 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
SCHEMBL3538507 1.00 MAPT (0.47) MAPTCASP1AURKATTKAURKB
SCHEMBL14404437 0.86 CHRM2 (0.37) MAPTCASP1OPRM1CHRM4CHRM2
SCHEMBL3535193 0.84 CHRM2 (0.41) OPRM1CHRM4CHRM2CHRM1CHRM3
SCHEMBL3535190 0.84 CHRM2 (0.41) OPRM1CHRM4CHRM2CHRM1CHRM3
SCHEMBL3538480 0.79 TSHR (0.43) MAPTCHRM2CHRM1DRD2DRD4
SCHEMBL3536639 0.79 CHRM2 (0.40) CHRM4CHRM2CHRM1CHRM3DRD2
SCHEMBL3536643 0.79 CHRM2 (0.40) CHRM4CHRM2CHRM1CHRM3DRD2
SCHEMBL3543853 0.78 CHRM2 (0.39) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL3543850 0.78 CHRM2 (0.39) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL3540444 0.77 DRD4 (0.42) CHRM4CHRM2CHRM1CHRM3CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713978-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-05-11 US disclosed
EP-2013178-A1 PIPERAZINE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUE (GHS) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2009-01-14 EP disclosed
WO-2007113202-A1 PIPERAZINE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUE (GHS) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
US-20070238737-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-11 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-20070238737-A1 NOVEL COMPOUNDS FABP2, VIP, SLC10A2 MAPT 2369/4885CASP1 2302/4885AURKA 4353/4885

“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.