SCHEMBL10309477

SCHEMBL10309477

[C-]#[N+]C(CC(=O)c1ccc2cc(C)ccc2c1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
MGAM O43451 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
CYP2A6 P11509 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GCGR P47871 1/20 0.36
GIPR P48546 1/20 0.36
KMO O15229 2/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL10309504 1.00 POLB (0.43) POLBMGAMGAASIMGAM2
SCHEMBL4071129 0.76 RAB9A (0.51) POLBCYP2A6L3MBTL1RAB9AMEN1
SCHEMBL10252926 0.71 MGAM (0.41) MGAMGAASIMGAM2L3MBTL1
SCHEMBL13422352 0.70 CYP2A6 (0.58) POLBCYP2A6RAB9AMEN1KMT2A
SCHEMBL7899391 0.69 ALDH1A1 (0.54) POLBMGAMGAASIMGAM2
SCHEMBL30253453 0.68 CYP2A6 (0.56) CYP2A6L3MBTL1RAB9AMEN1KMT2A
SCHEMBL10456611 0.68 CYP2A6 (0.56) CYP2A6L3MBTL1RAB9AMEN1KMT2A
SCHEMBL12520194 0.67 CYP2A6 (0.59) CYP2A6RAB9AMEN1KMT2A
SCHEMBL2758626 0.67 CYP2A6 (0.55) CYP2A6RAB9A
SCHEMBL20910115 0.67 CYP2A6 (0.65) CYP2A6RAB9AMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735604-B2 Pyrrolidines as glucagon receptor antagonists, compositions, and methods for their use MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
US-20120178789-A1 NOVEL PYRROLIDINES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME LLC 2012-07-12 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-20120178789-A1 NOVEL PYRROLIDINES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GIPR, GCGR POLB 2844/4885MGAM 3160/4885GAA 1046/4885

“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.