SCHEMBL3587753

SCHEMBL3587753

NCCC(N)(CN)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.48
SLC6A2 P23975 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
HIF1A Q16665 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.43
HTR2A P28223 2/20 0.43
CYP2A6 P11509 1/20 0.43
KIF11 P52732 5/20 0.42
CYP2D6 P10635 3/20 0.41
LMNA P02545 1/20 0.41
MAOA P21397 1/20 0.39
CYP1A2 P05177 4/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP3A4 P08684 2/20 0.37
PRMT1 Q99873 1/20 0.37
IDO1 P14902 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL4552971 0.91 TAAR1 (0.52) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
Hydrochloric Acid SCHEMBL4650598 0.89 TAAR1 (0.50) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
SCHEMBL29342 0.87 TAAR1 (0.56) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
Hydrochloric Acid SCHEMBL11047140 0.85 TAAR1 (0.54) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
Ammonia Solution, Strong SCHEMBL28900483 0.85 TAAR1 (0.54) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
SCHEMBL27780720 0.84 TAAR1 (0.45) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
SCHEMBL11139644 0.84 TAAR1 (0.45) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
SCHEMBL9539267 0.81 KDM4E (0.53) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
SCHEMBL8538086 0.80 TAAR1 (0.46) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
SCHEMBL583541 0.79 TAAR1 (0.64) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2

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 735/4885SMN1; SMN2 2171/4885

“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.