SCHEMBL25429102

SCHEMBL25429102

COc1ncc(Br)cc1C1OCCO1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NSD2 O96028 1/20 0.33
CASP6 P55212 1/20 0.33
CNR2 P34972 1/20 0.32
OPRK1 P41145 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL29457415 1.00 NPC1 (0.38) NPC1RAB9ANSD2CASP6CNR2
SCHEMBL24450114 0.78 CYP17A1 (0.34) CNR2OPRK1PIK3CAMTOR
SCHEMBL29526980 0.75 ALOX5AP (0.36) CNR2OPRK1
SCHEMBL31056314 0.75 HTT (0.47) NPC1RAB9ANSD2CASP6
SCHEMBL18500556 0.75 NSD2 (0.32) NSD2CASP6
SCHEMBL8144749 0.72 NPC1 (0.54) NPC1RAB9A
SCHEMBL11968474 0.71 NSD2 (0.33) NSD2CASP6
SCHEMBL26309867 0.71 CCR4 (0.36) NPC1RAB9ANSD2CASP6
SCHEMBL1670216 0.70 MEN1 (0.47) NPC1RAB9A
SCHEMBL1882789 0.69 HTT (0.46) NPC1RAB9APIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025064535-A1 TRICYCLIC SUBSTITUTED AMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE DEEP APPLE THERAPEUTICS, INC. (US) 2025-03-27 WO disclosed
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 EP disclosed
CN-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 CN disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 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 (2 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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 NPC1 1123/4885RAB9A 1337/4885NSD2 3404/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 NPC1 1123/4885RAB9A 1337/4885NSD2 3404/4885

“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.