SCHEMBL24305167

SCHEMBL24305167

C#CCn1c(=O)[nH]c(N)c(NC(=O)CCc2ccc(C(F)(F)F)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 11/20 0.41
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ ADAMTS4 O75173 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.36
▸ NR2E1 Q9Y466 1/20 0.36
▸ MLYCD O95822 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ PLAAT3 P53816 1/20 0.36
▸ PLAAT5 Q96KN8 1/20 0.36
▸ PLAAT2 Q9NWW9 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
SCHEMBL24305416 0.87 TSHR (0.35) POLBGAA
SCHEMBL29499415 0.87 SMN1; SMN2 (0.36) —
SCHEMBL24304732 0.87 ADORA3 (0.43) POLBMMP2MMP13
SCHEMBL26980000 0.85 TSHR (0.41) POLBGAAMMP2MMP12MMP13
SCHEMBL24304750 0.84 PKM (0.44) POLBGAA
SCHEMBL26980213 0.84 RAB9A (0.45) POLBGAAMAOB
SCHEMBL24304730 0.79 ADORA2B (0.41) MAOB
SCHEMBL24304729 0.79 TNKS (0.38) GAA
SCHEMBL24305162 0.78 TNKS2 (0.38) POLB
SCHEMBL29499444 0.77 ADORA3 (0.38) —

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
US-20240002416-A1 MRGPRX4 Agonists and Antagonists RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2024-01-04 — — US disclosed
EP-4229059-A1 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2023-08-23 — — EP disclosed
WO-2022079245-A1 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2022-04-21 — — WO disclosed
WO-2022079245-A1 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2022-04-21 — — WO 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-20240002416-A1 MRGPRX4 Agonists and Antagonists MRGPRX4, MRGPRX1, MRGPRX2 MCHR1 136/4885POLB 4651/4885GAA 3415/4885

“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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