SCHEMBL29232115

SCHEMBL29232115

CC(C)=Cc1ccc(C#N)c(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
DRD4 P21917 4/20 0.59
GAA P10253 4/20 0.59
HSD17B10 Q99714 2/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP1 P09874 1/20 0.45

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
SCHEMBL3399013 0.85 DRD4 (0.72) ALDH1A1DRD4GAAHSD17B10TSHR
SCHEMBL29232574 0.82 DRD4 (0.58) ALDH1A1DRD4GAAHSD17B10TSHR
SCHEMBL24984234 0.82 GAA (0.56) ALDH1A1DRD4GAAHSD17B10TSHR
SCHEMBL31185329 0.81 GAA (0.54) ALDH1A1DRD4GAAHSD17B10TSHR
SCHEMBL24984231 0.80 GAA (0.54) ALDH1A1DRD4GAAHSD17B10TSHR
SCHEMBL30163898 0.78 DRD4 (0.55) ALDH1A1DRD4GAAHSD17B10TSHR
SCHEMBL29232500 0.78 DRD4 (0.55) ALDH1A1DRD4GAAHSD17B10TSHR
SCHEMBL29232141 0.76 GRM2 (0.55) ALDH1A1DRD4GAANPSR1POLB
SCHEMBL30163997 0.76 GRM2 (0.55) ALDH1A1DRD4GAANPSR1POLB
SCHEMBL14585685 0.75 GAA (0.78) ALDH1A1DRD4GAAHSD17B10TSHR

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 ALDH1A1 2919/4885DRD4 2178/4885GAA 3805/4885

“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.