SCHEMBL4138378

SCHEMBL4138378

c1cncc(-c2ccccc2CO[C@H]2CCNC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.54
CHRNA4 P43681 5/20 0.54
CHRM2 P08172 3/20 0.54
CHRM1 P11229 3/20 0.54
CHRM3 P20309 3/20 0.54
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
KCNH2 Q12809 3/20 0.44
KCNA5 P22460 1/20 0.43
IKBKB O14920 2/20 0.41
CHUK O15111 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL4138380 1.00 CHRNB2 (0.54) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL4125224 0.86 SLC6A2 (0.47) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL4125221 0.86 SLC6A2 (0.47) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL4124163 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRM3SLC6A2SLC6A4
SCHEMBL4124168 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRM3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4141497 0.84 CHRNB2 (0.55) CHRNB2CHRNA4CHRM3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4141432 0.84 CHRNB2 (0.55) CHRNB2CHRNA4CHRM3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4141438 0.84 CHRNB2 (0.55) CHRNB2CHRNA4CHRM3SLC6A2SLC6A4
SCHEMBL4145108 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRM3SLC6A2SLC6A4
SCHEMBL4142210 0.79 SLC6A2 (0.41) CHRNB2CHRNA4CHRM2CHRM1CHRM3

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-20090215857-A1 Therapeutic Pyrrolidines PFIZER PRODUCTS INC. (US) 2009-08-27 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-20090215857-A1 Therapeutic Pyrrolidines OPRL1, HTR5A, OPRD1 CHRNB2 1057/4885CHRNA4 433/4885CHRM2 231/4885

“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.