SCHEMBL24846098

SCHEMBL24846098

CCN(C[C@H](C)O)C(=O)Nc1nnc(Cc2cccc(F)c2F)s1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KMT2A Q03164 7/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ GLS O94925 5/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ DGAT1 O75907 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL28952720 1.00 NPC1 (0.47) NPC1RAB9AKMT2AMEN1GLS
SCHEMBL29837159 1.00 NPC1 (0.47) NPC1RAB9AKMT2AMEN1GLS
SCHEMBL24846592 0.84 KMT2A (0.45) NPC1RAB9AKMT2AMEN1GLS
SCHEMBL24846073 0.83 RAB9A (0.41) NPC1RAB9AKMT2AMEN1GLS
SCHEMBL24846114 0.82 KMT2A (0.48) NPC1RAB9AKMT2AMEN1GLS
SCHEMBL24846549 0.82 RAB9A (0.60) NPC1RAB9AKMT2AMEN1GLS
SCHEMBL24846054 0.81 KMT2A (0.43) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL24846095 0.80 DGAT1 (0.42) KMT2AMEN1GLSKDM4EALDH1A1
SCHEMBL24846115 0.79 GLS (0.49) NPC1RAB9AKMT2AMEN1GLS
SCHEMBL24846717 0.79 CFTR (0.45) NPC1RAB9AKMT2AMEN1GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002336-A1 MrgprX2 Antagonists and Uses Thereof DERMIRA, INC. 2023-01-05 — — US disclosed
CN-114728919-A MrgprX2 antagonists and uses thereof 德米拉公司 2022-07-08 — — 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-20230002336-A1 MrgprX2 Antagonists and Uses Thereof MRGPRX2, MRGPRX1, MRGPRX4 NPC1 513/4885RAB9A 2006/4885KMT2A 3840/4885

“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.

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