SCHEMBL22993498

SCHEMBL22993498

CC(C)Cc1ccc2c(c1)CN(C)CCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RORC P51449 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM3 P20309 1/20 0.37
HTT P42858 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL5018746 0.79 ACACB (0.48) CYP2D6TAAR1ACACB
SCHEMBL10176854 0.78 RORC (0.46) ALDH1A1RORCTAAR1SLC6A2SLC6A4
SCHEMBL22993218 0.77 MAOA (0.47) SLC6A4DRD2DRD1DRD4DRD5
SCHEMBL13154819 0.76 PRMT5 (0.39) PRMT5WDR77CYP2D6ALDH1A1RORC
SCHEMBL5018926 0.76 CTNNB1 (0.43) CYP2D6TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4966560 0.76 ACACB (0.41) CYP2D6TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL25444508 0.76 MAOA (0.50) SLC6A4DRD2DRD1DRD4DRD5
SCHEMBL10159914 0.76 PRMT5 (0.38) PRMT5WDR77CYP2D6ALDH1A1RORC
SCHEMBL20354517 0.75 RIPK1 (0.51) ALDH1A1SLC6A2SLC6A4SLC6A3HTT
SCHEMBL14863559 0.74 HTT (0.43) HTTDRD2DRD1DRD4DRD5

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 3 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
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 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-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 PRMT5 449/4885WDR77 1010/4885CYP2D6 908/4885

“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.