Sugi Predict

Sugi Predict / Compounds / SCHEMBL30163997

SCHEMBL30163997

SCHEMBL30163997

CC(C)=Cc1ccc(C#N)c(N2CCN(Cc3nc4ccccc4n3C)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 13/20 0.55
▸ DRD4 P21917 11/20 0.53
▸ LMNA P02545 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ MAPT P10636 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ CXCR3 P49682 1/20 0.46
▸ DRD2 P14416 3/20 0.44
▸ DRD3 P35462 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL29232141 1.00 GRM2 (0.55) GRM2DRD4LMNAGAAPOLB
SCHEMBL29232139 0.88 GRM2 (0.56) GRM2DRD4LMNAGAAPOLB
SCHEMBL30163979 0.88 GRM2 (0.56) GRM2DRD4LMNAGAAPOLB
SCHEMBL29232254 0.84 GRM2 (0.59) GRM2DRD4LMNAGAAPOLB
SCHEMBL30164121 0.84 GRM2 (0.59) GRM2DRD4LMNAGAAPOLB
SCHEMBL30164102 0.83 LMNA (0.66) GRM2DRD4LMNAGAAPOLB
SCHEMBL29232373 0.83 LMNA (0.66) GRM2DRD4LMNAGAAPOLB
SCHEMBL31185257 0.79 GRM2 (0.50) GRM2DRD4LMNAGAAPOLB
SCHEMBL29232115 0.76 ALDH1A1 (0.59) DRD4LMNAGAAPOLBKDM4E
SCHEMBL5156990 0.74 GRM2 (0.81) GRM2DRD4LMNAGAAPOLB

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 GRM2 152/4885DRD4 2178/4885LMNA 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.