SCHEMBL12536769

SCHEMBL12536769

Fc1ccccc1C1CCCNCCN1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.43
HTR1A P08908 6/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A3 Q01959 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM1B Q8NB78 1/20 0.37
CHRM5 P08912 3/20 0.37
CHRM3 P20309 3/20 0.37
CHRM1 P11229 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL15039592 1.00 KDM1A (0.43) KDM1AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL859148 0.90 CHRM5 (0.44) KDM1AKDM4EGAAMEN1KMT2A
SCHEMBL29394965 0.90 CHRM5 (0.44) KDM1AKDM4EGAAMEN1KMT2A
SCHEMBL1051987 0.90 CHRM5 (0.44) KDM1AKDM4EGAAMEN1KMT2A
SCHEMBL29589462 0.90 CHRM5 (0.44) KDM1AKDM4EGAAMEN1KMT2A
SCHEMBL839974 0.90 CHRM5 (0.44) KDM1AKDM4EGAAMEN1KMT2A
SCHEMBL30824576 0.90 CHRM5 (0.44) KDM1AKDM4EGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL839730 0.88 CHRM5 (0.43) KDM1AKDM4EGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL839085 0.88 CHRM5 (0.43) KDM1AKDM4EGAAMEN1KMT2A
SCHEMBL1764675 0.84 KDM4E (0.46) KDM1AKDM4EGAAMEN1KMT2A

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-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists ANDREWS MARK DAVID 2011-06-09 US disclosed
US-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists ANDREWS MARK DAVID 2011-06-09 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-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists MC4R, CHRM4, GPR4 KDM1A 1363/4885HTR1A 125/4885SLC6A2 1320/4885

“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.