SCHEMBL25280673

SCHEMBL25280673

COCCN(C)C(=O)c1ccc(CCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.49
HDAC4 P56524 1/20 0.49
DRD2 P14416 1/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MLYCD O95822 1/20 0.43
ESRRG P62508 1/20 0.43
USP1 O94782 2/20 0.42
ATR Q13535 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MCHR1 Q99705 1/20 0.41
TNKS O95271 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
ITK Q08881 1/20 0.40

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
SCHEMBL23471013 0.86 NAMPT (0.50) NAMPTHDAC4DRD2MLYCDESRRG
SCHEMBL18770116 0.86 MLYCD (0.54) NAMPTCA1CA2MLYCDHDAC1
SCHEMBL31247841 0.85 CA1 (0.41) NAMPTHDAC4DRD2CA1CA2
SCHEMBL23471114 0.84 LOXL2 (0.51) NAMPTHDAC4DRD2MLYCDESRRG
SCHEMBL4693228 0.82 NAMPT (0.52) NAMPTHDAC4DRD2CA1CA2
SCHEMBL1448569 0.82 CA1 (0.47) HDAC4DRD2CA1CA2MLYCD
SCHEMBL12302019 0.82 NAMPT (0.52) NAMPTHDAC4DRD2MLYCDATR
SCHEMBL31003180 0.82 NAMPT (0.52) NAMPTHDAC4DRD2MLYCDATR
SCHEMBL28506371 0.81 NAMPT (0.51) NAMPTHDAC4DRD2MLYCDATR
SCHEMBL4695349 0.81 NAMPT (0.54) NAMPTHDAC4DRD2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250011285-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2025-01-09 US disclosed
US-20230192677-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2023-06-22 US 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 (2 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 NAMPT 981/4885HDAC4 2121/4885DRD2 4791/4885
US-20250011285-A1 CYP11A1 INHIBITORS CYP11B1, CYP19A1, CYP11B2 NAMPT 2064/4885HDAC4 2122/4885DRD2 3825/4885

“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.