SCHEMBL24038599

SCHEMBL24038599

c1cnn(-c2ccc3c(c2)CCNC3)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.47
PARP2 Q9UGN5 2/20 0.47
PARP3 Q9Y6F1 2/20 0.47
ASIC3 Q9UHC3 5/20 0.45
PNMT P11086 2/20 0.43
CD44 P16070 1/20 0.43
MAOB P27338 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
NOTUM Q6P988 1/20 0.42
HTR6 P50406 4/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDK2 Q15119 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL30090302 0.88 PARP1 (0.47) PARP1PARP2PARP3ASIC3HTR6
SCHEMBL24038913 0.88 NOTUM (0.47) DRD2DRD3NOTUMHTR6KDM4E
SCHEMBL31599425 0.79 DRD2 (0.45) DRD2DRD3NOTUMKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL25274822 0.76 PDK2 (0.44) PARP1PARP2PARP3NOTUMKDM4E
Trifluoroacetic Acid SCHEMBL30090423 0.76 PDK2 (0.44) PARP1PARP2PARP3NOTUMKDM4E
SCHEMBL28324452 0.73 CYP11B2 (0.46) DRD2DRD3NOTUMKDM4EALDH1A1
SCHEMBL5210453 0.70 KDM4E (0.40) DRD2DRD3NOTUMHTR6KDM4E
SCHEMBL25406974 0.69 ASIC3 (0.58) ASIC3PNMTCD44MAOBDRD2
SCHEMBL4171450 0.69 ASIC3 (0.51) ASIC3PNMTCD44MAOBDRD2
SCHEMBL4341894 0.69 NOTUM (0.78) DRD2DRD3NOTUMKDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192677-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2023-06-22 US disclosed
US-20230192677-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2023-06-22 US disclosed
US-20230192677-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2023-06-22 US disclosed
EP-4149924-A1 CYP11A1 INHIBITORS Orion Corporation (FI) 2023-03-22 EP disclosed
CN-115551831-A CYP11A1 inhibitor 奥赖恩公司 2022-12-30 CN disclosed
WO-2021229152-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2021-11-18 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-20230192677-A1 CYP11A1 INHIBITORS CYP11B1, CYP11B2, CYP17A1 PARP1 2342/4885PARP2 2913/4885PARP3 1205/4885

“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.