SCHEMBL3590718

SCHEMBL3590718

NCCCC(N)CSCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
HRH1 P35367 1/20 0.44
MAOA P21397 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP3A4 P08684 1/20 0.40
PRMT1 Q99873 1/20 0.40
EPHX1 P07099 1/20 0.39
CYP2C19 P33261 3/20 0.39
MMP2 P08253 1/20 0.38
CYP2A6 P11509 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
LOXL2 Q9Y4K0 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
SCHEMBL21065978 0.78 EPHX1 (0.61) MAOACYP2D6EPHX1CYP2A6TAAR1
SCHEMBL13730908 0.78 EPHX1 (0.61) MAOACYP2D6EPHX1CYP2A6TAAR1
SCHEMBL20763981 0.78 HTR2A (0.40) HTR2AHRH1MAOACYP1A2CYP2D6
SCHEMBL7114970 0.77 EPHX1 (0.43) CYP1A2CYP2D6CYP3A4PRMT1EPHX1
SCHEMBL1168400 0.77 EPHX1 (0.43) CYP1A2CYP2D6CYP3A4PRMT1EPHX1
SCHEMBL5683174 0.77 ANPEP (0.57) EPHX1
SCHEMBL2549520 0.77 EPHX1 (0.43) CYP1A2CYP2D6CYP3A4PRMT1EPHX1
SCHEMBL10202821 0.76 EPHX1 (0.64) HTR2AHRH1MAOAEPHX1MMP2
SCHEMBL22013209 0.75 EPHX1 (0.44) MAOACYP1A2CYP2D6CYP3A4PRMT1
SCHEMBL3587290 0.75 MAOA (0.53) HTR2AHRH1MAOAEPHX1

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 4 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 claimed
EP-1885693-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 Wurster, Siegfried (FI) 2008-02-13 EP claimed
WO-2006123020-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 JUVANTIA PHARMA LTD OY (FI) 2006-11-23 WO claimed
US-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 US 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 HTR2A 439/4885HRH1 446/4885MAOA 3631/4885

“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.