SCHEMBL4735331

SCHEMBL4735331

O=C1c2ccccc2C(=O)N1CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.67
SLC6A4 P31645 16/20 0.67
SLC6A2 P23975 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL4735943 0.88 HRH3 (0.79) HRH3SLC6A4SLC6A2SMN1; SMN2KDM4E
SCHEMBL4733844 0.87 HRH3 (0.78) HRH3SLC6A4SLC6A2SMN1; SMN2KDM4E
SCHEMBL4920955 0.83 HRH3 (0.74) HRH3SLC6A4SLC6A2SMN1; SMN2KDM4E
SCHEMBL4736356 0.83 HRH3 (0.74) HRH3SLC6A4SLC6A2
SCHEMBL4733850 0.80 HRH3 (0.74) HRH3SLC6A4SLC6A2
SCHEMBL4911688 0.80 HRH3 (1.00) HRH3SLC6A4SLC6A2
Trifluoroacetic Acid SCHEMBL4795585 0.79 HRH3 (0.63) HRH3SLC6A4SLC6A2SMN1; SMN2KDM4E
Fumaric Acid SCHEMBL4920637 0.78 SLC6A4 (0.85) HRH3SLC6A4SLC6A2
Maleic Acid SCHEMBL4920633 0.78 SLC6A4 (0.85) HRH3SLC6A4SLC6A2
SCHEMBL4916086 0.78 HRH3 (0.70) HRH3SLC6A4SLC6A2SMN1; SMN2KDM4E

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-20080139564-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 US disclosed
WO-2008064036-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-29 WO 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.