SCHEMBL29232146

SCHEMBL29232146

CC(C)Cc1ccc(C#N)c(N2CC(NC(=O)OCc3ccccc3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.49
CTSK P43235 7/20 0.49
CTSB P07858 5/20 0.49
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 2/20 0.41
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.41
CTSS P25774 7/20 0.41
DPP4 P27487 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
PREP P48147 2/20 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
SCHEMBL30164064 0.85 FFAR4 (0.39)
SCHEMBL614540 0.74 CA1 (0.55) CTSLCTSKCTSBALDH1A1GAA
SCHEMBL614541 0.74 CA1 (0.55) CTSLCTSKCTSBALDH1A1GAA
SCHEMBL24984470 0.74 MAOA (0.35) CTSKALDH1A1GAACTSSDPP4
SCHEMBL30164108 0.74 MAOA (0.35) CTSKALDH1A1GAACTSSDPP4
SCHEMBL14820339 0.71 ALDH1A1 (0.62) CTSLCTSKCTSBALDH1A1GAA
SCHEMBL21228000 0.71 CTSL (0.53) CTSLCTSKCTSBALDH1A1GAA
SCHEMBL30163967 0.71 NR1H2 (0.42) ALDH1A1
SCHEMBL24985194 0.71 NR1H2 (0.42) ALDH1A1
SCHEMBL22472311 0.70 ALDH1A1 (0.55) CTSLCTSKCTSBALDH1A1GAA

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-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling CONFO THERAPEUTICS N.V. (BE) 2024-11-07 US disclosed
CN-118159530-A Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling 康福治疗有限公司 2024-06-07 CN 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-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling AGTR2, AGTR1, OPRL1 CTSL 3129/4885CTSK 1482/4885CTSB 1496/4885

“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.