SCHEMBL3583482

SCHEMBL3583482

NCCCC(N)(CS)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.44
TAAR1 Q96RJ0 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.39
HTR2A P28223 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
CYP2A6 P11509 1/20 0.38
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
IDO1 P14902 1/20 0.35

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
SCHEMBL6364468 0.89 KIF11 (0.50) KIF11TAAR1MAOASLC6A2SMN1; SMN2
SCHEMBL7491955 0.83 MAOA (0.52) KIF11TAAR1MAOASLC6A2SMN1; SMN2
SCHEMBL7497898 0.81 MAOA (0.50) KIF11TAAR1MAOASLC6A2SMN1; SMN2
SCHEMBL28744986 0.81 MAOA (0.50) KIF11TAAR1MAOASLC6A2SMN1; SMN2
SCHEMBL9182645 0.81 MAOA (0.50) KIF11TAAR1MAOASLC6A2SMN1; SMN2
SCHEMBL27295811 0.81 MAOA (0.50) KIF11TAAR1MAOASLC6A2SMN1; SMN2
SCHEMBL4552971 0.77 TAAR1 (0.52) KIF11TAAR1MAOASLC6A2SMN1; SMN2
SCHEMBL21880069 0.75 KIF11 (0.52) KIF11TAAR1MAOASLC6A2SMN1; SMN2
Hydrochloric Acid SCHEMBL4650598 0.75 TAAR1 (0.50) KIF11TAAR1MAOASLC6A2SMN1; SMN2
SCHEMBL14346444 0.75 KIF11 (0.38) KIF11TAAR1MAOASLC6A2HTR2A

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 1 patent. 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

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 KIF11 2691/4885TAAR1 63/4885MAOA 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.