SCHEMBL4919952

SCHEMBL4919952

[CH2]CC(Oc1ccc(Br)cc1)c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.71
SLC6A4 P31645 12/20 0.71
ATM Q13315 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
SLC6A2 P23975 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LTA4H P09960 1/20 0.53
PTGS2 P35354 1/20 0.53

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
SCHEMBL4919962 0.88 HRH3 (0.71) HRH3SLC6A4SLC6A2MEN1KMT2A
SCHEMBL4925845 0.88 HRH3 (0.71) HRH3SLC6A4SLC6A2MEN1KMT2A
SCHEMBL4919839 0.88 HRH3 (0.71) HRH3SLC6A4SLC6A2MEN1KMT2A
SCHEMBL4919893 0.88 HRH3 (0.72) HRH3SLC6A4SLC6A2MEN1KMT2A
SCHEMBL4923183 0.88 HRH3 (0.74) HRH3SLC6A4ATML3MBTL1SLC6A2
SCHEMBL4911980 0.83 SLC6A4 (1.00) HRH3SLC6A4ATML3MBTL1SLC6A2
SCHEMBL491581 0.83 ATM (0.90) HRH3ATML3MBTL1LTA4HPTGS2
SCHEMBL1776837 0.83 ATM (0.90) HRH3ATML3MBTL1LTA4HPTGS2
SCHEMBL5856455 0.82 ATM (0.88) HRH3ATML3MBTL1LTA4HPTGS2
SCHEMBL27711502 0.82 ATM (0.88) HRH3ATML3MBTL1LTA4HPTGS2

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 HRH3 1/4885SLC6A4 2/4885ATM 2138/4885

“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.