SCHEMBL23536184

SCHEMBL23536184

C[C@@H]1CC(Oc2ccncc2)C[C@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
EPHX2 P34913 1/20 0.34
SLC6A4 P31645 4/20 0.33
FFAR2 O15552 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP19A1 P11511 1/20 0.32
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL18591940 0.82 GRIN1 (0.43) NPC1GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL18591932 0.82 GRIN1 (0.43) NPC1GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL14862509 0.78 SLC6A4 (0.35) SLC6A2SLC6A3EPHX2SLC6A4FFAR2
SCHEMBL14862510 0.78 SLC6A4 (0.35) SLC6A2SLC6A3EPHX2SLC6A4FFAR2
SCHEMBL31681182 0.77 GRIN1 (0.40) NPC1GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL13105751 0.75 KMT2A (0.34) SLC6A2SLC6A3SLC6A4
SCHEMBL26098186 0.75 GRIN1 (0.43) GRIN1GRIN2BSLC6A2SLC6A3EPHX2
SCHEMBL24608468 0.75 GRIN1 (0.40) GRIN1GRIN2BSLC6A2SLC6A3EPHX2
SCHEMBL26351488 0.74 CYP19A1 (0.41) GRIN1GRIN2BSLC6A2SLC6A3EPHX2
SCHEMBL20400026 0.73 HRH1 (0.43) GRIN1GRIN2BEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 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-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 NPC1 346/4885GRIN1 357/4885GRIN2B 309/4885

“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.