SCHEMBL24846605

SCHEMBL24846605

O=C(Nc1nnc(Cc2cc(F)cc(F)c2)s1)N1CCC(C(F)(F)F)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.46
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.39
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ GLS O94925 1/20 0.36

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
SCHEMBL24846074 0.87 DGAT1 (0.48) DGAT1KMT2AMEN1TSHRALDH1A1
SCHEMBL24846053 0.82 DGAT1 (0.48) DGAT1KMT2AMEN1TSHRALDH1A1
SCHEMBL24846666 0.75 DGAT1 (0.47) DGAT1KMT2AMEN1TSHRALDH1A1
SCHEMBL24846063 0.71 TSHR (0.61) DGAT1KMT2AMEN1TSHRPOLB
SCHEMBL24846479 0.66 DGAT1 (0.40) DGAT1KMT2AMEN1POLB
SCHEMBL22668459 0.66 ADCY1 (0.51) POLB
SCHEMBL24846669 0.66 DGAT1 (0.44) DGAT1KMT2AMEN1TSHRALDH1A1
SCHEMBL24846646 0.65 DGAT1 (0.43) DGAT1KMT2AMEN1TSHRALDH1A1
SCHEMBL24846068 0.65 DGAT1 (0.41) DGAT1KMT2AMEN1TSHRALDH1A1
SCHEMBL24846403 0.65 DGAT1 (0.41) DGAT1KMT2AMEN1TSHRALDH1A1

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 811/4885KMT2A 3840/4885MEN1 3172/4885

“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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