SCHEMBL19382129

SCHEMBL19382129

CC1CCCC1Oc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.49
CHRNA4 P43681 5/20 0.49
CHRNA3 P32297 5/20 0.43
CHRNB4 P30926 4/20 0.43
CHRNA7 P36544 3/20 0.43
CHRNA1 P02708 2/20 0.43
CHRNB1 P11230 2/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNG P07510 1/20 0.41
CHRND Q07001 1/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL2855681 0.81 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL19368204 0.80 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL19381817 0.79 ALDH1A1 (0.44) LMNA
SCHEMBL12949446 0.78 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL2855282 0.77 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL29877020 0.76 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL16823577 0.76 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL2083914 0.74 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL22547406 0.73 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL16845110 0.73 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 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-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 CHRNB2 4135/4885CHRNA4 4486/4885CHRNA3 4477/4885

“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.