SCHEMBL24251361

SCHEMBL24251361

Cc1nn2c(C(C)C)cc(C(=O)N[C@H]3CCOc4ccccc43)cc2c1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.38
▸ XIAP P98170 1/20 0.38
▸ P2RX7 Q99572 2/20 0.37
▸ BDKRB1 P46663 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ADA P00813 2/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ TRPV1 Q8NER1 2/20 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
SCHEMBL24251415 0.87 TAS1R3 (0.46) CRHBPCRHR2SMN1; SMN2TAS1R3TAS1R1
SCHEMBL24251449 0.84 BRD4 (0.38) NTRK1XIAPP2RX7BDKRB1MAPK1
SCHEMBL24251353 0.81 BRD4 (0.42) NTRK1P2RX7BDKRB1MAPK1TAS1R3
SCHEMBL20547236 0.80 NTRK1 (0.38) NTRK1XIAPP2RX7MAPK1BRD4
SCHEMBL24251426 0.79 BRD4 (0.36) NTRK1XIAPP2RX7BDKRB1MAPK1
SCHEMBL24251432 0.79 BRD4 (0.40) NTRK1P2RX7BDKRB1MAPK1TAS1R3
SCHEMBL24251375 0.79 BRD4 (0.38) NTRK1P2RX7BDKRB1MAPK1TAS1R3
SCHEMBL24251352 0.79 BRD4 (0.38) NTRK1P2RX7BDKRB1MAPK1TAS1R3
SCHEMBL24251366 0.78 NTRK1 (0.38) NTRK1P2RX7BDKRB1MAPK1TAS1R3
SCHEMBL24251595 0.77 CNR1 (0.39) NTRK1P2RX7MAPK1BRD4CREBBP

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-20220048903-A1 Anthelminthic Heterocyclic Compounds BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2022-02-17 — — 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-20220048903-A1 Anthelminthic Heterocyclic Compounds SDHA, PAH, PIGS NTRK1 4846/4885XIAP 2877/4885P2RX7 781/4885

“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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