SCHEMBL24846062

SCHEMBL24846062

C[C@@H](O)CN(C)C(=O)Nc1nnc(Cc2cc(F)cc(F)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ POLB P06746 2/20 0.40
▸ GLS O94925 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL24846089 1.00 DGAT1 (0.43) DGAT1TSHRKDM4EKMT2AMEN1
SCHEMBL24846068 0.88 DGAT1 (0.41) DGAT1TSHRKDM4EKMT2AMEN1
SCHEMBL24846554 0.88 DGAT1 (0.41) DGAT1TSHRKDM4EKMT2AMEN1
SCHEMBL24846095 0.87 DGAT1 (0.42) DGAT1TSHRKDM4EKMT2AMEN1
SCHEMBL24846119 0.83 KMT2A (0.39) DGAT1TSHRKDM4EKMT2AMEN1
SCHEMBL24846646 0.82 DGAT1 (0.43) DGAT1TSHRKMT2AMEN1POLB
SCHEMBL24846107 0.82 DGAT1 (0.43) DGAT1TSHRKDM4EKMT2AMEN1
SCHEMBL24953830 0.81 SCD (0.47) KDM4EKMT2AMEN1POLBLMNA
SCHEMBL24953932 0.81 SCD (0.47) KDM4EKMT2AMEN1POLBLMNA
SCHEMBL24846063 0.80 TSHR (0.61) DGAT1TSHRKDM4EKMT2AMEN1

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 DGAT1 811/4885TSHR 1201/4885KDM4E 3619/4885

“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