SCHEMBL25344221

SCHEMBL25344221

Brc1ccc2oc(C3CC3)nc2n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC4 P56524 1/20 0.36
MPO P05164 1/20 0.33
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
HTR3A P46098 1/20 0.30
KCNH2 Q12809 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
SCHEMBL31048089 0.79 MPO (0.34) MPO
SCHEMBL25342970 0.79 RAB9A (0.46) RAB9AALDH1A1NPC1SMN1; SMN2HDAC4
SCHEMBL9967112 0.70 RAB9A (0.56) RAB9AALDH1A1NPC1SMN1; SMN2HDAC4
SCHEMBL18614347 0.69 LMNA (0.40) LMNA
SCHEMBL18824669 0.69 PIK3CA (0.38) RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL4620828 0.69
SCHEMBL21604521 0.67 CHRNB2 (0.33) RAB9ANPC1SMN1; SMN2HDAC4
SCHEMBL24473907 0.66 NPC1 (0.43) RAB9AALDH1A1NPC1SMN1; SMN2L3MBTL1
SCHEMBL24330410 0.66 TDP1 (0.44)
SCHEMBL21851713 0.65 HTR3A (0.72) CHRM4CHRM5CHRM1CHRM3CHRNB4

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-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 RAB9A 1337/4885ALDH1A1 4347/4885NPC1 1123/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 RAB9A 1337/4885ALDH1A1 4347/4885NPC1 1123/4885

“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.