SCHEMBL24251441

SCHEMBL24251441

C=C(C)c1c(C(=O)N[C@H]2CCc3ccccc32)ccc2c(-c3ccc(C(F)(F)F)cc3)c(C)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ TAS1R3 Q7RTX0 6/20 0.40
▸ TAS1R1 Q7RTX1 6/20 0.40
▸ TAS1R2 Q8TE23 6/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MLLT3 P42568 1/20 0.38
▸ MLLT1 Q03111 1/20 0.38
▸ SPR P35270 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL24251360 0.87 HSD17B2 (0.40) —
SCHEMBL24251550 0.87 PDE2A (0.42) PDE2AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL24251368 0.85 TAS1R3 (0.45) PDE2AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL24251351 0.83 TAS1R3 (0.45) PDE2AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL24251599 0.77 PDE10A (0.41) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL24251594 0.75 HSD17B2 (0.40) —
SCHEMBL24251369 0.73 TAS1R3 (0.45) PDE2AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL24251432 0.73 BRD4 (0.40) TAS1R3TAS1R1TAS1R2
SCHEMBL24251444 0.73 TAS1R3 (0.44) PDE2AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL20768120 0.72 PDE2A (0.47) PDE2AALDH1A1TAS1R3TAS1R1TAS1R2

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 PDE2A 1638/4885ALDH1A1 212/4885TAS1R3 4103/4885

“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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