SCHEMBL3540438

SCHEMBL3540438

COc1ncc(N2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)cc1NC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.42
CHRM2 P08172 7/20 0.42
CHRM1 P11229 7/20 0.42
CHRM4 P08173 11/20 0.42
CHRM3 P20309 4/20 0.42
CHRM5 P08912 2/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3540444 1.00 DRD4 (0.42) DRD4CHRM2CHRM1CHRM4CHRM3
SCHEMBL13341865 0.86 KMT2A (0.42) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL14404437 0.83 CHRM2 (0.37) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL3535193 0.81 CHRM2 (0.41) DRD4CHRM2CHRM1CHRM4CHRM3
SCHEMBL3535190 0.81 CHRM2 (0.41) DRD4CHRM2CHRM1CHRM4CHRM3
SCHEMBL3536643 0.78 CHRM2 (0.40) DRD4CHRM2CHRM1CHRM4CHRM3
SCHEMBL3536639 0.78 CHRM2 (0.40) DRD4CHRM2CHRM1CHRM4CHRM3
SCHEMBL3538507 0.77 MAPT (0.47) DRD4CHRM2CHRM1CHRM4CHRM3
SCHEMBL3538510 0.77 MAPT (0.47) DRD4CHRM2CHRM1CHRM4CHRM3
SCHEMBL3543853 0.77 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3CHRM5

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-7713978-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-05-11 US disclosed
US-7713978-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-05-11 US disclosed
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
US-20070238737-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-11 US disclosed
WO-2007113202-A1 PIPERAZINE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUE (GHS) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 WO 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
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 DRD4 3501/4885CHRM2 699/4885CHRM1 1209/4885

“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.