SCHEMBL31370488

SCHEMBL31370488

Cc1cccc([C@H]2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
TMEM97 Q5BJF2 5/20 0.44
SIGMAR1 Q99720 5/20 0.44
ADAM17 P78536 1/20 0.42
OPRK1 P41145 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
RIPK1 Q13546 2/20 0.42
SCD5 Q86SK9 1/20 0.42
CHRM3 P20309 2/20 0.41
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
AOC1 P19801 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL14558811 0.86 ROCK2 (0.46) ROCK2TMEM97SIGMAR1RIPK1SCD5
SCHEMBL14558766 0.85 TMEM97 (0.48) TMEM97SIGMAR1ADAM17RIPK1FABP7
SCHEMBL14558757 0.83 TMEM97 (0.47) TMEM97SIGMAR1ADAM17RIPK1FABP7
SCHEMBL5150024 0.83 TMEM97 (0.41) ROCK2TMEM97SIGMAR1ADAM17RIPK1
SCHEMBL5150021 0.83 TMEM97 (0.41) ROCK2TMEM97SIGMAR1ADAM17RIPK1
SCHEMBL14558770 0.82 TMEM97 (0.42) TMEM97SIGMAR1ADAM17RIPK1SCD5
Acetic Acid SCHEMBL27570248 0.81 ROCK2 (0.44) ROCK2TMEM97SIGMAR1ADAM17ALDH1A1
SCHEMBL5156573 0.81 HSP90AA1 (0.45) ROCK2TMEM97SIGMAR1ALDH1A1GAA
SCHEMBL31369417 0.79 FFAR2 (0.44) FABP7FABP5
SCHEMBL23157205 0.78 KMT2A (0.43) ALDH1A1GAAFABP7FABP5

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 ROCK2 4254/4885TMEM97 2178/4885SIGMAR1 2954/4885

“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.