SCHEMBL25237133

SCHEMBL25237133

O=C(OCc1ccccc1)N1CCC2(CC1)CNc1cnccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.53
GRIN2B Q13224 8/20 0.51
CYP2D6 P10635 4/20 0.51
CYP2C9 P11712 4/20 0.51
CYP3A4 P08684 3/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
OPRD1 P41143 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM1A O60341 1/20 0.45
ENPP2 Q13822 1/20 0.45
ATXN2 Q99700 1/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 2/20 0.44

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
SCHEMBL1196005 0.88 MEN1 (0.51) OPRK1GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL1196006 0.88 MEN1 (0.51) OPRK1GRIN2BCYP2D6CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL8582025 0.87 MEN1 (0.50) OPRK1GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL1196280 0.82 XIAP (0.53) OPRK1GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL3156202 0.82 HDAC1 (0.46) OPRK1GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL20955401 0.82 GRIN2B (0.47) OPRK1GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL1196281 0.82 XIAP (0.53) OPRK1GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL25233171 0.81 HDAC1 (0.48) OPRK1GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL29385934 0.80 AVPR1A (0.39) CYP2D6CYP2C9CYP3A4MEN1KMT2A
SCHEMBL4979370 0.80 MEN1 (0.46) OPRK1GRIN2BMEN1KMT2ANPSR1

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-20230416262-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-12-28 US disclosed
EP-4192957-A2 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2023-06-14 EP disclosed
CN-116113698-A TRPML modulators 卡斯玛治疗公司 2023-05-12 CN disclosed
WO-2022032073-A2 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2022-02-10 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-20230416262-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 OPRK1 197/4885GRIN2B 309/4885CYP2D6 2369/4885

“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.