SCHEMBL29232113

SCHEMBL29232113

CC(C)Cc1ccc(C#N)c(N2CCN(Cc3ccnn3C)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.36
▸ TNK1 Q13470 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ ADRA1A P35348 2/20 0.36
▸ ADRA1B P35368 2/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ DRD4 P21917 2/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ DRD2 P14416 2/20 0.34
▸ CHKA P35790 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ MTOR P42345 1/20 0.33
▸ RPTOR Q8N122 1/20 0.33
▸ MLST8 Q9BVC4 1/20 0.33
▸ TNK2 Q07912 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ MAPK8 P45983 1/20 0.33

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
SCHEMBL29232463 0.85 GNRHR (0.40) PARP1TNK1LMNAGAAHTR1A
SCHEMBL29232130 0.83 HTR1A (0.37) PARP1LMNAGAAHTR1AADRA1A
SCHEMBL29232545 0.83 RET (0.45) PARP1DRD4HTR7DRD2RET
SCHEMBL29232481 0.82 HTR1A (0.35) PARP1TNK1LMNAGAAHTR1A
SCHEMBL29232377 0.82 RET (0.43) PARP1TNK1LMNAGAAHTR1A
SCHEMBL29232472 0.81 SRPK1 (0.38) PARP1TNK1HTR1AADRA1AADRA1B
SCHEMBL29232270 0.81 RET (0.41) ADRA1AADRA1BDRD4ADRA1DDRD2
SCHEMBL30164056 0.80 RET (0.43) PARP1TNK1DRD4DRD2DRD3
SCHEMBL29232499 0.80 RET (0.43) PARP1TNK1DRD4DRD2DRD3
SCHEMBL29232461 0.80 RET (0.43) PARP1TNK1GRM2DRD4HTR7

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 PARP1 4259/4885TNK1 1733/4885LMNA 4268/4885

“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.

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