SCHEMBL24953740

SCHEMBL24953740

CC1(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.58
▸ RAB9A P51151 6/20 0.58
▸ LMNA P02545 6/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ KDM4E B2RXH2 5/20 0.58
▸ NFKB1 P19838 3/20 0.58
▸ NFKB2 Q00653 3/20 0.58
▸ RELA Q04206 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ ABL1 P00519 4/20 0.54
▸ GPER1 Q99527 1/20 0.50
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ TP53 P04637 4/20 0.47
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CYP1A2 P05177 1/20 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
SCHEMBL24953915 0.90 SCD (0.47) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL24952880 0.89 SCD (0.51) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL24953800 0.88 LMNA (0.51) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL29799577 0.86 LMNA (0.44) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL24953889 0.86 LMNA (0.44) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL24953821 0.84 ABL1 (0.56) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL24952929 0.84 SCD (0.46) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL24952876 0.84 SCD (0.46) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL24953957 0.84 SCD (0.46) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL24953524 0.83 RAB9A (0.62) NPC1RAB9ALMNASMN1; SMN2MEN1

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
CN-114845709-B MRGPRX2 antagonists for the treatment of inflammatory disorders 德米拉公司 2024-10-01 — — CN disclosed
US-20230029266-A1 MrgprX2 Antagonists for the Treatment of Inflammatory Disorders DERMIRA, INC. 2023-01-26 — — US disclosed
EP-4054554-A1 MRGPRX2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Dermira, Inc (US) 2022-09-14 — — EP disclosed
CN-114845709-A MRGPRX2 antagonists for use in treating inflammatory disorders 德米拉公司 2022-08-02 — — CN 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-20230029266-A1 MrgprX2 Antagonists for the Treatment of Inflammatory Disorders MRGPRX2, MRGPRX1, MRGPRX4 NPC1 575/4885RAB9A 1759/4885LMNA 4081/4885

“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.

Send feedback