SCHEMBL5455643

SCHEMBL5455643

CP(c1cnc2ccccc2n1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PDE10A Q9Y233 1/20 0.34
HPGD P15428 1/20 0.34
HTR3A P46098 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 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
SCHEMBL4084097 0.80 CYP11B1 (0.38) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL22714067 0.75 LMNA (0.36) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL30137705 0.75 LMNA (0.36) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL22714066 0.75 LMNA (0.36) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL29257885 0.71 PDE10A (0.47) SMN1; SMN2HTTNPC1RAB9AALDH1A1
SCHEMBL22714072 0.71 CYP11B1 (0.33) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL22714073 0.71 CYP11B1 (0.33) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL30137702 0.71 CYP11B1 (0.33) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL10346336 0.70 ALDH1A1 (0.45) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL3089331 0.66 FAAH (0.34) SMN1; SMN2LMNAHTTNPC1RAB9A

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-20070021610-A1 2, 3-Bis(dialkylphosphino)pyrazine derivative, process of producing the same, and metal complex having the same as ligand NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2007-01-25 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-20070021610-A1 2, 3-Bis(dialkylphosphino)pyrazine derivative, process of producing the same, and metal complex having the same as ligand HRH2, HRH1, HRH4 SMN1; SMN2 4518/4885LMNA 4131/4885HTT 4048/4885

“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.