SCHEMBL25344786

SCHEMBL25344786

O=C1CCC[C@@H](c2ccncc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.46
MAPT P10636 3/20 0.45
CYP19A1 P11511 2/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.35
TP53 P04637 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK10 P53779 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL18705865 1.00 ESR2 (0.46) ESR2MAPTCYP19A1PDE4APDE4B
SCHEMBL24924065 0.89 PDE3B (0.46) ESR2MAPTCYP19A1PDE4APDE4B
Hydrochloric Acid SCHEMBL9482313 0.81 MAPT (0.55) ESR2MAPTGAACYP2C19LMNA
SCHEMBL715591 0.81 MAPT (0.59) ESR2MAPTGAACYP2C19LMNA
SCHEMBL714528 0.81 MAPT (0.59) ESR2MAPTGAACYP2C19LMNA
SCHEMBL714527 0.81 MAPT (0.59) ESR2MAPTGAACYP2C19LMNA
SCHEMBL1070252 0.80 CYP11B2 (0.62) MAPTKDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL18706042 0.79 MAPT (0.46) ESR2MAPTPDE4APDE4BPDE4C
SCHEMBL714856 0.78 ESR2 (0.50) ESR2MAPTCYP19A1PDE4APDE4B
SCHEMBL18980759 0.78 ESR2 (0.50) ESR2MAPTPDE4APDE4BPDE4C

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 ESR2 215/4885MAPT 2184/4885CYP19A1 2876/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 ESR2 215/4885MAPT 2184/4885CYP19A1 2876/4885

“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.