SCHEMBL24253345

SCHEMBL24253345

CC(C)=Cc1nc2c(s1)CN(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
CYP2C19 P33261 3/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 10/20 0.37
F2 P00734 1/20 0.36
ALOX15 P16050 1/20 0.35
RAD52 P43351 1/20 0.35
RECQL P46063 1/20 0.35
OGA O60502 1/20 0.34

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
SCHEMBL5776887 0.81 GRM5 (0.47) GRM5CYP2C19NPC1CYP1A2CYP2D6
SCHEMBL22211246 0.73 GRM5 (0.46) GRM5CYP2C19NPC1CYP1A2CYP2D6
SCHEMBL10279507 0.73 F10 (0.50) GRM5CYP2C19NPC1CYP1A2CYP2D6
SCHEMBL8051769 0.73 GRM5 (0.51) GRM5CYP2C19NPC1CYP1A2CYP2D6
SCHEMBL209848 0.73 GRM5 (0.51) GRM5CYP2C19NPC1CYP1A2CYP2D6
SCHEMBL114205 0.71 RAD52 (0.63) GRM5CYP2C19NPC1CYP1A2CYP2D6
SCHEMBL13019235 0.71 GRM5 (0.50) GRM5CYP2C19NPC1CYP1A2CYP2D6
SCHEMBL19454341 0.71 GRM5 (0.50) GRM5CYP2C19NPC1CYP1A2CYP2D6
SCHEMBL16870042 0.71 GRM5 (0.50) GRM5CYP2C19NPC1CYP1A2CYP2D6
SCHEMBL29086185 0.71 GRM5 (0.47) GRM5CYP2C19NPC1CYP1A2CYP2D6

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
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 GRM5 3607/4885CYP2C19 944/4885NPC1 1179/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 GRM5 3607/4885CYP2C19 944/4885NPC1 1179/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 GRM5 3607/4885CYP2C19 944/4885NPC1 1179/4885

“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.