SCHEMBL4921786

SCHEMBL4921786

OCCC(Oc1ccc(C(F)(F)F)cc1)c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.76
SLC6A4 P31645 13/20 0.76
SLC6A2 P23975 1/20 0.58
LTA4H P09960 1/20 0.54
CACNA1B Q00975 2/20 0.53
CACNA1H O95180 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
SCHEMBL4734353 0.89 SLC6A4 (0.76) HRH3SLC6A4SLC6A2LTA4HCACNA1B
SCHEMBL4920955 0.87 HRH3 (0.74) HRH3SLC6A4SLC6A2
SCHEMBL4922124 0.87 SLC6A4 (1.00) HRH3SLC6A4SLC6A2
SCHEMBL4733229 0.87 SLC6A4 (0.75) HRH3SLC6A4SLC6A2CACNA1BCACNA1H
SCHEMBL4916367 0.87 SLC6A4 (1.00) HRH3SLC6A4SLC6A2
SCHEMBL4910728 0.84 HRH3 (0.72) HRH3SLC6A4SLC6A2LTA4H
Fumaric Acid SCHEMBL4922577 0.82 SLC6A4 (0.65) HRH3SLC6A4SLC6A2
Maleic Acid SCHEMBL4922562 0.82 SLC6A4 (0.65) HRH3SLC6A4SLC6A2
SCHEMBL4922567 0.81 HRH3 (0.75) HRH3SLC6A4SLC6A2
SCHEMBL17267470 0.80 SLC7A5 (0.65) 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 HRH3 1/4885SLC6A4 2/4885SLC6A2 9/4885

“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.