SCHEMBL18878236

SCHEMBL18878236

OCCC1CCN(Cc2ccccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 4/20 0.51
POLB P06746 2/20 0.51
HRH1 P35367 2/20 0.50
CYP2D6 P10635 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TRPV6 Q9H1D0 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
DRD4 P21917 1/20 0.48

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
SCHEMBL3150994 0.88 KDM4E (0.65) KDM4ESMN1; SMN2L3MBTL1CYP2C19CYP1A2
SCHEMBL13512464 0.85 KDM4E (0.59) KDM4ESMN1; SMN2L3MBTL1CYP2C19CYP1A2
SCHEMBL803088 0.82 KDM4E (0.59) KDM4ESMN1; SMN2L3MBTL1CYP2C19CYP1A2
SCHEMBL29263688 0.82 KDM4E (0.61) KDM4ESMN1; SMN2L3MBTL1CYP2C19CYP1A2
SCHEMBL13512585 0.82 KDM4E (0.61) KDM4ESMN1; SMN2L3MBTL1CYP2C19CYP1A2
SCHEMBL3150985 0.82 KDM4E (0.65) KDM4ESMN1; SMN2L3MBTL1CYP2C19CYP1A2
SCHEMBL17266314 0.81 KDM4E (0.64) KDM4ESMN1; SMN2L3MBTL1ALDH1A1TRPV6
SCHEMBL3936986 0.80 KDM4E (0.63) KDM4ESMN1; SMN2L3MBTL1CYP2C19POLB
SCHEMBL30141847 0.79 CYP1A2 (0.71) KDM4ESMN1; SMN2L3MBTL1CYP2C19CYP1A2
SCHEMBL20804356 0.79 CYP1A2 (0.71) KDM4ESMN1; SMN2L3MBTL1CYP2C19CYP1A2

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-20170143665-A1 SYNTHESIS AND USE OF AMINE-CONTAINING FLAVONOIDS AS POTENT ANTI-LEISHMANIAL AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2017-05-25 US disclosed
US-20170143665-A1 SYNTHESIS AND USE OF AMINE-CONTAINING FLAVONOIDS AS POTENT ANTI-LEISHMANIAL AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2017-05-25 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-20170143665-A1 SYNTHESIS AND USE OF AMINE-CONTAINING FLAVONOIDS AS POTENT ANTI-LEISHMANIAL AGENTS HNMT, TYR, PNMT KDM4E 418/4885SMN1; SMN2 4397/4885L3MBTL1 1402/4885

“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.