SCHEMBL2887252

SCHEMBL2887252

CNCc1cc(C#CCCC(N)C2CC2)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.70
HRH3 Q9Y5N1 10/20 0.70
HTR2A P28223 10/20 0.60
KCNH2 Q12809 9/20 0.60
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 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
SCHEMBL2889348 0.83 SLC6A4 (1.00) SLC6A4HRH3HTR2AKCNH2SLC6A2
SCHEMBL2889617 0.82 SLC6A4 (0.84) SLC6A4HRH3HTR2AKCNH2SLC6A2
SCHEMBL2887255 0.81 SLC6A4 (1.00) SLC6A4HRH3HTR2AKCNH2SLC6A2
SCHEMBL2880852 0.80 SLC6A4 (1.00) SLC6A4HRH3HTR2AKCNH2SLC6A2
SCHEMBL2889549 0.77 SLC6A4 (1.00) SLC6A4HRH3HTR2AKCNH2SLC6A2
SCHEMBL2888661 0.77 SLC6A4 (1.00) SLC6A4HRH3HTR2AKCNH2SLC6A2
SCHEMBL5836873 0.76 SLC6A4 (1.00) SLC6A4HRH3HTR2AKCNH2SLC6A3
SCHEMBL5838185 0.71 HTR2A (1.00) SLC6A4HTR2AKCNH2
Hydrochloric Acid SCHEMBL5709638 0.70 HTR2A (0.97) SLC6A4HTR2AKCNH2
SCHEMBL5837833 0.70 SLC6A4 (1.00) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

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 7 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 claimed
EP-2049466-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-22 EP claimed
US-20080004258-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 US claimed
WO-2008002817-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO claimed
US-20100256122-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-10-07 US disclosed
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 (2 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 SLC6A4 10/4885HRH3 1/4885HTR2A 16/4885
US-20100256122-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 SLC6A4 10/4885HRH3 1/4885HTR2A 16/4885

“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.