SCHEMBL30164281

SCHEMBL30164281

CC(C)Cc1ccc(C#N)c(N2CCN(Cc3nc4ncccc4o3)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.37
▸ SORD Q00796 1/20 0.35
▸ DRD2 P14416 5/20 0.35
▸ DRD4 P21917 4/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ HRH1 P35367 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ RPTOR Q8N122 1/20 0.33
▸ MLST8 Q9BVC4 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RET P07949 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 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
SCHEMBL29232335 1.00 PARP1 (0.37) PARP1SORDDRD2DRD4HTR2A
SCHEMBL4818493 0.84 DRD4 (0.48) DRD2DRD4HTR2AHTR1AHTR7
SCHEMBL29232545 0.82 RET (0.45) PARP1DRD2DRD4HTR7RET
SCHEMBL29232472 0.80 SRPK1 (0.38) PARP1DRD4HTR1AHTR7HRH1
SCHEMBL31185434 0.80 AGTR1 (0.36) PARP1SORD
SCHEMBL29232191 0.78 MAPT (0.41) PARP1DRD4HTR7
SCHEMBL29232255 0.78 RET (0.39) DRD2DRD4DRD3RET
SCHEMBL30918513 0.76 DRD4 (0.36) PARP1DRD2DRD4HTR1AHTR7
SCHEMBL29232252 0.76 DRD4 (0.36) PARP1DRD2DRD4HTR1AHTR7
SCHEMBL29232113 0.76 PARP1 (0.36) PARP1DRD2DRD4HTR1AHTR7

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 4 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
EP-4377307-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) 2024-06-05 — — EP disclosed
WO-2023006893-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) 2023-02-02 — — WO 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 4259/4885SORD 3887/4885DRD2 1224/4885

“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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