SCHEMBL24253486

SCHEMBL24253486

CC(C)Cc1ccc2c(n1)CN(C)CC2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
CYP2C19 P33261 1/20 0.38
NMT1 P30419 1/20 0.36
CYP2C9 P11712 1/20 0.36
DRD1 P21728 4/20 0.36
DRD5 P21918 4/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
DRD4 P21917 2/20 0.36
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL22993267 0.88 CYP2C19 (0.43) MAOAMAOBCYP2C19NMT1CYP2C9
SCHEMBL24859480 0.83 MAOA (0.43) MAOAMAOBCYP2C19CYP2C9DRD1
SCHEMBL24221623 0.78 GRM5 (0.33) MAOAMAOBNMT1DRD1DRD5
SCHEMBL22723932 0.78 CYP3A4 (0.37) DRD1DRD5DRD2DRD4HRH3
SCHEMBL23103392 0.76 MAOA (0.43) MAOAMAOBCYP2C19CYP2C9DRD1
SCHEMBL11639939 0.76 ADRA2A (0.40)
SCHEMBL22387665 0.76 ADRA2A (0.37)
SCHEMBL21730188 0.75 MAPT (0.36) HRH3
SCHEMBL22993461 0.75 HRH4 (0.38) MAOAMAOBCYP2C19NMT1DRD1
SCHEMBL22993375 0.74 CYP2C19 (0.44) MAOAMAOBCYP2C19NMT1CYP2C9

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-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-11613527-B2 Enzyme inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2023-03-28 US disclosed
US-20220048894-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-17 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 (3 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-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 MAOA 175/4885MAOB 71/4885CYP2C19 944/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 MAOA 175/4885MAOB 71/4885CYP2C19 944/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 MAOA 175/4885MAOB 71/4885CYP2C19 944/4885

“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.