SCHEMBL4836403

SCHEMBL4836403

O=C(OCc1ccccc1)C(CBr)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.43
SLC6A2 P23975 4/20 0.43
TACR1 P25103 4/20 0.43
SLC6A3 Q01959 3/20 0.42
HTR2C P28335 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
OPRD1 P41143 1/20 0.41
HTR1A P08908 1/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL8312302 0.88 SLC6A4 (0.46) SLC6A4SLC6A2TACR1SLC6A3HTR2C
SCHEMBL7306627 0.85 ALDH1A1 (0.45) SLC6A4SLC6A2SLC6A3HTR2CGAA
SCHEMBL6605312 0.81 HTR2C (0.47) SLC6A4SLC6A2SLC6A3HTR2CGAA
SCHEMBL9164261 0.80 TACR1 (0.53) SLC6A4SLC6A2TACR1SLC6A3
SCHEMBL7265728 0.78 TACR1 (0.52) SLC6A4SLC6A2TACR1SLC6A3
SCHEMBL9159859 0.78 TACR1 (0.52) SLC6A4SLC6A2TACR1SLC6A3
SCHEMBL9164273 0.77 TACR1 (0.51) SLC6A4SLC6A2TACR1SLC6A3
Hydrochloric Acid SCHEMBL9161808 0.77 TACR1 (0.51) SLC6A4SLC6A2TACR1SLC6A3
SCHEMBL23780011 0.77 CTSL (0.42) SLC6A4SLC6A2SLC6A3HTR2CGAA
SCHEMBL6019029 0.77 CTSL (0.42) SLC6A4SLC6A2SLC6A3HTR2CGAA

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-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 US disclosed
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2006-07-27 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-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B SLC6A4 1913/4885SLC6A2 2094/4885TACR1 91/4885

“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.