SCHEMBL4290489

SCHEMBL4290489

COc1ccc(CCNCCN)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.66
MAOB P27338 2/20 0.59
CHRM2 P08172 1/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
CA5A P35218 1/20 0.56
CA14 Q9ULX7 1/20 0.56
GAA P10253 1/20 0.55
CA4 P22748 1/20 0.55
ANPEP P15144 1/20 0.54
ERAP2 Q6P179 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ATM Q13315 1/20 0.53
MAPT P10636 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL28661867 0.90 SMN1; SMN2 (0.65) TAAR1CHRM2CA12CA1CA2
SCHEMBL8594416 0.90 CHRM2 (0.63) TAAR1MAOBCHRM2CA12CA1
SCHEMBL4920100 0.84 CHRM2 (0.74) TAAR1MAOBCHRM2CA12CA1
SCHEMBL4916759 0.84 CHRM2 (0.74) TAAR1MAOBCHRM2CA12CA1
SCHEMBL4918916 0.84 CHRM2 (0.74) TAAR1MAOBCHRM2CA12CA1
SCHEMBL16994624 0.84 CHRM2 (0.74) TAAR1MAOBCHRM2CA12CA1
SCHEMBL4614753 0.83 MEN1 (0.71) TAAR1SMN1; SMN2HTTGAAMEN1
SCHEMBL6469311 0.83 SMN1; SMN2 (0.57) TAAR1CHRM2CA12CA1CA2
SCHEMBL4908769 0.83 CHRM2 (0.73) TAAR1MAOBCHRM2CA12CA1
SCHEMBL11808217 0.83 CHRM2 (0.63) TAAR1MAOBCHRM2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999051598-A1 SUBSTITUTED 9H-PYRIDINO[2,3-b]INDOLE AND 9H-PYRIMIDINO[4,5-b]INDOLE DERIVATIVES: SELECTIVE NEUROPEPTIDE y RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1999-10-14 WO claimed
US-8217001-B2 Modification of feeding behavior IMPERIAL INNOVATIONS LIMITED 2012-07-10 US disclosed
US-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2009-08-20 US disclosed
EP-1499277-A4 MODIFICATION OF FEEDING BEHAVIOR IMP COLLEGE INNOVATIONS LTD (GB) 2005-08-31 EP disclosed
EP-1499277-A2 MODIFICATION OF FEEDING BEHAVIOR Imperial College Innovations Limited (GB) 2005-01-26 EP disclosed
WO-2003026591-A2 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2003-04-03 WO 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-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR NPY4R, NPY5R, NPY2R TAAR1 158/4885MAOB 389/4885CHRM2 328/4885

“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.