SCHEMBL24846114

SCHEMBL24846114

CCN(C[C@H](C)O)C(=O)Nc1nnc(Cc2cccc(F)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ GLS O94925 4/20 0.48
▸ DGAT1 O75907 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ FFAR1 O14842 1/20 0.43

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
SCHEMBL24846095 0.90 DGAT1 (0.42) KMT2AMEN1GLSDGAT1TSHR
SCHEMBL24846064 0.90 KMT2A (0.47) KMT2AMEN1GLSDGAT1RAB9A
SCHEMBL24846115 0.89 GLS (0.49) KMT2AMEN1GLSRAB9ATSHR
SCHEMBL24846054 0.87 KMT2A (0.43) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL24846119 0.86 KMT2A (0.39) KMT2AMEN1GLSDGAT1RAB9A
SCHEMBL24846603 0.85 SMN1; SMN2 (0.39) KMT2AMEN1DGAT1RAB9ATSHR
SCHEMBL24846717 0.85 CFTR (0.45) KMT2AMEN1GLSRAB9ANPC1
SCHEMBL24846592 0.84 KMT2A (0.45) KMT2AMEN1GLSRAB9ANPC1
SCHEMBL24846086 0.84 KMT2A (0.48) KMT2AMEN1GLSDGAT1RAB9A
SCHEMBL24954265 0.83 MAPT (0.51) KMT2AMEN1RAB9ANPC1CYP1A2

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 1 patent. 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

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 KMT2A 3840/4885MEN1 3172/4885GLS 1237/4885

“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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