SCHEMBL19084121

SCHEMBL19084121

CCC(=O)N1CC2CC1(C(=O)O)C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA7 P36544 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
HSD11B1 P28845 2/20 0.32
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL5481123 0.78 MEN1 (0.30) ALDH1A1MEN1KMT2A
SCHEMBL19075642 0.74 MEN1 (0.30) ALDH1A1MEN1KMT2A
SCHEMBL14343401 0.70 HSD11B1 (0.43) MEN1KMT2AHSD11B1EPHX2
SCHEMBL18116222 0.70 HSD11B1 (0.43) MEN1KMT2AHSD11B1EPHX2
SCHEMBL22474748 0.64 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL22474758 0.63 ALDH1A1 (0.36) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL20937472 0.62 ALDH1A1 (0.39) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL26983251 0.61 MEN1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL11279036 0.59 OPRM1 (0.34) ALDH1A1
SCHEMBL31674212 0.59 MEN1 (0.31) ALDH1A1MEN1KMT2AEPHX2

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-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 CHRNB2 3513/4885CHRNA3 2138/4885CHRNA4 2575/4885

“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.