SCHEMBL3587032

SCHEMBL3587032

Cc1ccc(COCC(N)CCCN)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.43
AGXT P21549 2/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KCNH2 Q12809 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5025103 0.84 IDO1 (0.43) TACR1AGXTTAAR1
SCHEMBL3577606 0.83 TACR1 (0.51) TACR1CA1CA2CA9
SCHEMBL3594302 0.78 SLC7A5 (0.44)
Hydrochloric Acid SCHEMBL11114681 0.77 TACR1 (0.49) TACR1AGXTCA1CA2CA9
SCHEMBL3595674 0.73 TACR1 (0.54) TACR1CA1CA2CA9
SCHEMBL14627569 0.71 TAAR1 (0.53) CYP1A2CYP2A6TAAR1
SCHEMBL8263617 0.71 AGXT (0.50) TACR1AGXTCYP1A2CYP2A6TAAR1
SCHEMBL21518158 0.71 AGXT (0.56) AGXTCYP1A2CYP2A6TAAR1KCNH2
SCHEMBL14724381 0.70 AGXT (0.60) AGXTCYP1A2CYP2A6TAAR1KCNH2
SCHEMBL9617939 0.70 AGXT (0.64) AGXTCYP1A2CYP2A6TAAR1KCNH2

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 19/4885AGXT 4587/4885CYP1A2 3738/4885

“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.