SCHEMBL3587752

SCHEMBL3587752

NCC[CH]CNCc1ccccc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MAPK8 P45983 5/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HMGB1 P09429 1/20 0.36
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
HIF1A Q16665 1/20 0.35
METAP2 P50579 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NAMPT P43490 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL5023431 0.92 SLC6A5 (0.36) HTR2AHTR2CHTR2BMAPK8KDM4E
SCHEMBL3585495 0.78 KDM4E (0.40) MAPK8KDM4EALDH1A1HPGDMAPT
SCHEMBL3583373 0.77 GAA (0.38) HTR2AHTR2CHTR2BMAPK8KDM4E
SCHEMBL14855220 0.74 ADH1B (0.46) HTR2AHTR2CHTR2BMAPK8KDM4E
SCHEMBL3579083 0.73 MEN1 (0.39) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL731621 0.73 HMGB1 (0.55) HTR2AKDM4EALDH1A1HPGDMAPT
SCHEMBL6280286 0.73 PKM (0.54) KDM4EALDH1A1HPGDAURKARPS6KB1
Hydrochloric Acid SCHEMBL4422370 0.72 HMGB1 (0.53) HTR2AKDM4EALDH1A1HPGDMAPT
SCHEMBL19091144 0.71 HPGD (0.45) HTR2AHTR2CHTR2BMAPK8KDM4E
SCHEMBL4019795 0.71 HPGD (0.45) MAPK8KDM4EALDH1A1HPGDMAPT

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 HTR2A 439/4885HTR2C 690/4885HTR2B 459/4885

“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.