SCHEMBL23933514

SCHEMBL23933514

O=C(O)N1C[C@H]2CC(Nc3cc(C(F)(F)F)c(Cl)nn3)C[C@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
IL1B P01584 7/20 0.38
RBP4 P02753 11/20 0.36
CYP3A4 P08684 5/20 0.36
CYP2C9 P11712 5/20 0.36
CYP2C19 P33261 5/20 0.36
NLRP3 Q96P20 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TNF P01375 1/20 0.34

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
SCHEMBL23933508 1.00 GRIN2B (0.39) GRIN2BIL1BRBP4CYP3A4CYP2C9
SCHEMBL23933511 1.00 GRIN2B (0.39) GRIN2BIL1BRBP4CYP3A4CYP2C9
SCHEMBL25625907 0.85 NR1H2 (0.41) GRIN2BIL1BJAK2JAK1
SCHEMBL30455542 0.85 NR1H2 (0.41) GRIN2BIL1BJAK2JAK1
SCHEMBL23956997 0.85 NR1H2 (0.41) GRIN2BIL1BJAK2JAK1
SCHEMBL29270325 0.82 IL1B (0.49) IL1BNLRP3
SCHEMBL30665802 0.82 IL1B (0.49) IL1BNLRP3
SCHEMBL23499460 0.81 CNR2 (0.34) JAK2JAK1
SCHEMBL23933599 0.79 GRIN2B (0.39) GRIN2BIL1BRBP4CYP3A4CYP2C9
SCHEMBL23933595 0.79 GRIN2B (0.39) GRIN2BIL1BRBP4CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
EP-4139303-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-03-01 EP disclosed
WO-2021216951-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-10-28 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-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 GRIN2B 151/4885IL1B 4584/4885RBP4 1989/4885

“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.