SCHEMBL4920896

SCHEMBL4920896

[CH2]CC(Oc1ccccc1Cl)c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HRH3 Q9Y5N1 14/20 0.53
SLC6A4 P31645 7/20 0.53
SLC6A2 P23975 1/20 0.53
TSHR P16473 1/20 0.52
KCNH2 Q12809 2/20 0.51
HRH1 P35367 1/20 0.51
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL4921089 0.85 HRH3 (0.76) HRH3SLC6A4SLC6A2
SCHEMBL4919962 0.84 HRH3 (0.71) MEN1KMT2AHRH3SLC6A4SLC6A2
SCHEMBL4919839 0.84 HRH3 (0.71) MEN1KMT2AHRH3SLC6A4SLC6A2
SCHEMBL4925845 0.82 HRH3 (0.71) MEN1KMT2AHRH3SLC6A4SLC6A2
SCHEMBL4923581 0.82 HRH3 (0.74) MEN1KMT2AHRH3SLC6A4SLC6A2
SCHEMBL4919893 0.80 HRH3 (0.72) MEN1KMT2AHRH3SLC6A4SLC6A2
SCHEMBL4919952 0.80 HRH3 (0.71) MEN1KMT2AL3MBTL1HRH3SLC6A4
SCHEMBL4923183 0.77 HRH3 (0.74) MEN1KMT2AL3MBTL1HRH3SLC6A4
SCHEMBL4918877 0.77 HRH3 (0.75) MEN1KMT2AL3MBTL1HRH3SLC6A4
Trifluoroacetic Acid SCHEMBL4920779 0.77 SLC6A4 (0.67) HRH3SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139564-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 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-20080139564-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS HRH3, SLC6A4, HNMT MEN1 2363/4885KMT2A 610/4885CYP1A2 1356/4885

“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.