SCHEMBL30164014

SCHEMBL30164014

Cc1cc(CC(C)C)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
GPR119 Q8TDV5 5/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RET P07949 4/20 0.39
NSD2 O96028 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SQOR Q9Y6N5 1/20 0.37

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
SCHEMBL24984227 1.00 KCNH2 (0.44) KCNH2CTSSCTSKGPR119MEN1
Hydrochloric Acid SCHEMBL30163930 0.93 KCNH2 (0.40) KCNH2CTSSCTSKGPR119MEN1
SCHEMBL30918478 0.88 KCNH2 (0.44) KCNH2CTSSCTSKGPR119RET
SCHEMBL29232216 0.88 KCNH2 (0.46) KCNH2CTSSCTSKGPR119RET
SCHEMBL24984461 0.88 KCNH2 (0.44) KCNH2CTSSCTSKGPR119RET
Hydrochloric Acid SCHEMBL30163985 0.86 GPR119 (0.36) KCNH2CTSSCTSKGPR119MEN1
SCHEMBL24983943 0.86 GPR119 (0.42) KCNH2CTSSCTSKGPR119RET
Hydrochloric Acid SCHEMBL30164105 0.83 GPR119 (0.40) KCNH2CTSSCTSKGPR119RET
Hydrochloric Acid SCHEMBL30163943 0.83 KCNH2 (0.42) KCNH2CTSSCTSKGPR119RET
SCHEMBL24984502 0.82 GPR119 (0.46) KCNH2CTSSCTSKGPR119MEN1

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 KCNH2 1542/4885CTSS 2435/4885CTSK 1482/4885

“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.