SCHEMBL4489613

SCHEMBL4489613

[CH2]NCCC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
OPRL1 P41146 14/20 0.35
DAO P14920 1/20 0.33

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
SCHEMBL6798941 0.77
SCHEMBL10153790 0.76 SIGMAR1 (0.42) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL18123340 0.76 KDM1A (0.41) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL20551151 0.76 KDM1A (0.41) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL3836071 0.75 SIGMAR1 (0.45) KDM1AMAOAMAOB
SCHEMBL1488097 0.75
Hydrochloric Acid SCHEMBL2986284 0.74 SIGMAR1 (0.41) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL24853530 0.73 KDM1A (0.39) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL21099156 0.73 CHRM2 (0.43) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL2415898 0.72

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-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 KDM1A 1250/4885MAOA 364/4885MAOB 173/4885

“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.