SCHEMBL2886897

SCHEMBL2886897

[CH2]c1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.73
SLC6A4 P31645 15/20 0.73
SLC6A2 P23975 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL2883431 0.90 HRH3 (0.72) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL2881594 0.87 HRH3 (0.73) HRH3SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL2889549 0.84 SLC6A4 (1.00) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL2887205 0.83 HRH3 (0.73) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL2887258 0.77 SLC6A4 (0.67) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL2880852 0.75 SLC6A4 (1.00) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL2887425 0.74 SLC6A4 (1.00) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL2887495 0.74 SLC6A4 (1.00) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL2888661 0.74 SLC6A4 (1.00) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL2881601 0.72 SLC6A4 (1.00) HRH3SLC6A4SLC6A2SLC6A3

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-7767666-B2 Butyl and butynyl benzyl amine compounds JANSSEN PHARMACEUTICA NV (BE) 2010-08-03 US disclosed
US-20080004258-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 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-20080004258-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 HRH3 1/4885SLC6A4 10/4885SLC6A2 21/4885

“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.