SCHEMBL14394397

SCHEMBL14394397

COCCO[C@@H]1CCCN(CC2CCCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.46
ADRA2C P18825 1/20 0.46
ACHE P22303 1/20 0.41
NPC1 O15118 1/20 0.41
KDM2B Q8NHM5 6/20 0.35
SIGMAR1 Q99720 2/20 0.33
JAK3 P52333 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL14392771 0.83 CHRM5 (0.50) CHRM5ADRA2CACHENPC1KDM2B
SCHEMBL14394399 0.81 NPC1 (0.35) ACHENPC1
SCHEMBL24661418 0.81 CYP3A4 (0.41) NPC1KDM2BSIGMAR1KDM4E
SCHEMBL24661420 0.81 CYP3A4 (0.41) NPC1KDM2BSIGMAR1KDM4E
SCHEMBL14369079 0.80 NPC1 (0.34) NPC1JAK3
SCHEMBL14392612 0.80 NPC1 (0.34) NPC1JAK3
SCHEMBL771415 0.80 NPC1 (0.37) NPC1SIGMAR1JAK3
Hydrochloric Acid SCHEMBL4426629 0.79 NPC1 (0.33) NPC1JAK3
SCHEMBL14369077 0.78 NPC1 (0.33) NPC1SIGMAR1JAK3
SCHEMBL14369074 0.77 SMN1; SMN2 (0.45) NPC1

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-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 CHRM5 244/4885ADRA2C 53/4885ACHE 92/4885

“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.