SCHEMBL29232173

SCHEMBL29232173

CC(C)=Cc1cnc(C#N)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.47
KCNH2 Q12809 1/20 0.43
EGLN2 Q96KS0 1/20 0.43
RET P07949 4/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41

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
SCHEMBL30918451 1.00 GPR119 (0.47) GPR119KCNH2EGLN2RETNR1H2
SCHEMBL24989545 0.83 GPR119 (0.47) GPR119KCNH2EGLN2RETNR1H2
SCHEMBL30931005 0.83 KCNH2 (0.47) GPR119KCNH2EGLN2RETNR1H2
SCHEMBL29182776 0.83 KCNH2 (0.47) GPR119KCNH2EGLN2RETNR1H2
SCHEMBL24985434 0.81 PARP1 (0.33) RET
SCHEMBL30918465 0.81 GPR119 (0.46) GPR119KCNH2EGLN2RETNR1H2
SCHEMBL24985438 0.81 GPR119 (0.46) GPR119KCNH2EGLN2RETNR1H2
SCHEMBL24984456 0.80 GPR119 (0.43) GPR119KCNH2EGLN2SMARCA2SMARCA4
SCHEMBL30163864 0.80 GPR119 (0.43) GPR119KCNH2EGLN2SMARCA2SMARCA4
SCHEMBL24984504 0.80 GPR119 (0.45) GPR119EGLN2RETNR1H2NR1H3

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 GPR119 225/4885KCNH2 1542/4885EGLN2 1640/4885

“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.