SCHEMBL3575949

SCHEMBL3575949

NCC(N)COCc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.62
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CASR P41180 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
MC4R P32245 1/20 0.41
MC5R P33032 1/20 0.41
ALOX5 P09917 1/20 0.41
RAB9A P51151 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
SCHEMBL2781643 0.81 TACR1 (0.59) TACR1SLC1A1
SCHEMBL7965700 0.81 TACR1 (0.59) TACR1SLC1A1
SCHEMBL7967707 0.81 TACR1 (0.59) TACR1SLC1A1
SCHEMBL22050521 0.80 TACR1 (0.64) TACR1
SCHEMBL21995083 0.80 TACR1 (0.64) TACR1
Hydrochloric Acid SCHEMBL8935783 0.79 TACR1 (0.58) TACR1SLC1A1
SCHEMBL22457178 0.79 TACR1 (0.62) TACR1
SCHEMBL21994971 0.79 TACR1 (0.62) TACR1
SCHEMBL433146 0.78 CYP1A2 (0.58) TACR1SLC1A3SLC1A2SLC1A1HTR2A
SCHEMBL3470527 0.78 HTR2A (0.65) TACR1HTR2AHTR2CHTR2BCYP1A2

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 19/4885SLC1A3 230/4885SLC1A2 692/4885

“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.