SCHEMBL2887256

SCHEMBL2887256

CNCc1cc(C#CCCN2CCN(C(C)C)C(=O)C2)ccc1Oc1ccc(SC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 1.00
HRH3 Q9Y5N1 20/20 1.00
SLC6A2 P23975 4/20 0.69
SLC6A3 Q01959 4/20 0.69

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
SCHEMBL2887389 0.87 SLC6A4 (1.00) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL2882208 0.85 SLC6A4 (1.00) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL13109365 0.84 SLC6A4 (0.72) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL2880646 0.84 SLC6A4 (1.00) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL2887496 0.83 SLC6A4 (1.00) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL2886123 0.82 SLC6A4 (1.00) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL2880931 0.81 SLC6A4 (1.00) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL2881644 0.81 SLC6A4 (1.00) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL2884401 0.81 SLC6A4 (1.00) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL2886292 0.76 SLC6A4 (1.00) SLC6A4HRH3SLC6A2SLC6A3

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 11 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-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-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
US-20080004258-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 US disclosed
WO-2008002817-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 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 (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 1/4885SLC6A2 21/4885
US-20100256122-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 SLC6A4 10/4885HRH3 1/4885SLC6A2 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.