SCHEMBL3595674

SCHEMBL3595674

NCCC(N)COCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.54
TSHR P16473 1/20 0.50
SLC1A1 P43005 1/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
EPHX1 P07099 1/20 0.42
IDO1 P14902 1/20 0.42
AKT1 P31749 2/20 0.41
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PRKX P51817 1/20 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
SCHEMBL3577606 0.89 TACR1 (0.51) TACR1TSHRSLC1A1CA1CA2
SCHEMBL7965700 0.86 TACR1 (0.59) TACR1TSHRSLC1A1CA1CA2
SCHEMBL7967707 0.86 TACR1 (0.59) TACR1TSHRSLC1A1CA1CA2
SCHEMBL2781643 0.86 TACR1 (0.59) TACR1TSHRSLC1A1CA1CA2
Hydrochloric Acid SCHEMBL11114681 0.86 TACR1 (0.49) TACR1TSHRSLC1A1CA1CA2
SCHEMBL18394417 0.86 TACR1 (0.63) TACR1TSHRSLC1A1CA1CA2
SCHEMBL24215414 0.85 TACR1 (0.54) TACR1TSHRSLC1A1CA1CA2
Hydrochloric Acid SCHEMBL8935783 0.85 TACR1 (0.58) TACR1TSHRSLC1A1CA1CA2
SCHEMBL6118975 0.84 TACR1 (0.54) TACR1TSHRSLC1A1CA1CA2
SCHEMBL3324362 0.83 TSHR (0.52) TACR1TSHRSLC1A1CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 US disclosed
EP-1885693-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 Wurster, Siegfried (FI) 2008-02-13 EP disclosed
WO-2006123020-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 JUVANTIA PHARMA LTD OY (FI) 2006-11-23 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 TACR1 19/4885TSHR 41/4885SLC1A1 465/4885

“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.