SCHEMBL3579084

SCHEMBL3579084

CC(N)(CCN)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
SLC6A2 P23975 1/20 0.44
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.41
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
CYP2A6 P11509 1/20 0.39
HTR2A P28223 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PRMT1 Q99873 1/20 0.38
LMNA P02545 1/20 0.37
MAOB P27338 1/20 0.37
KIF11 P52732 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL18595451 0.80 SLC6A2 (0.39) TAAR1SLC6A2IDO1AGXTTSHR
SCHEMBL28384963 0.79 SLC6A2 (0.45) TAAR1SLC6A2IDO1AGXTTSHR
SCHEMBL28381990 0.78 SLC6A2 (0.52) TAAR1SLC6A2IDO1AGXTTSHR
SCHEMBL17477217 0.75 IDO1 (0.46) TAAR1SLC6A2IDO1AGXTTSHR
SCHEMBL3410274 0.74 TSHR (0.48) TAAR1SLC6A2IDO1AGXTTSHR
SCHEMBL21327698 0.74 TSHR (0.48) TAAR1SLC6A2IDO1AGXTTSHR
SCHEMBL27683446 0.74 IDO1 (0.38) TAAR1IDO1AGXTTSHRKDM4E
SCHEMBL10940340 0.73 TSHR (0.52) TAAR1SLC6A2IDO1AGXTTSHR
SCHEMBL726130 0.73 TSHR (0.52) TAAR1SLC6A2IDO1AGXTTSHR
SCHEMBL5016440 0.73 TSHR (0.52) TAAR1SLC6A2IDO1AGXTTSHR

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 TAAR1 63/4885SLC6A2 735/4885IDO1 1915/4885

“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.