SCHEMBL4920044

SCHEMBL4920044

C[C](C)CC(Oc1ccccc1)c1cccc(OCCCN2CCCCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.71
SLC6A4 P31645 4/20 0.71
SLC6A2 P23975 1/20 0.56
KDM4E B2RXH2 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 2/20 0.55
ESR1 P03372 2/20 0.54
MEN1 O00255 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL4920731 0.94 HRH3 (0.71) HRH3SLC6A4SLC6A2KDM4EL3MBTL1
SCHEMBL4921687 0.90 HRH3 (0.69) HRH3SLC6A4SLC6A2KDM4EALDH1A1
SCHEMBL4916086 0.89 HRH3 (0.70) HRH3SLC6A4SLC6A2KDM4EALDH1A1
SCHEMBL4912895 0.83 SLC6A4 (1.00) HRH3SLC6A4SLC6A2
SCHEMBL4916090 0.80 HRH3 (0.70) HRH3SLC6A4SLC6A2KMT2AMEN1
SCHEMBL4916476 0.79 HRH3 (0.57) HRH3SLC6A4SLC6A2
SCHEMBL4786256 0.77 SLC6A4 (1.00) HRH3SLC6A4SLC6A2
SCHEMBL4735943 0.75 HRH3 (0.79) HRH3SLC6A4SLC6A2KDM4EALDH1A1
SCHEMBL4920955 0.74 HRH3 (0.74) HRH3SLC6A4SLC6A2KDM4EALDH1A1
SCHEMBL2823877 0.74 HRH3 (0.87) HRH3KDM4EALDH1A1SMN1; SMN2

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.