SCHEMBL24251578

SCHEMBL24251578

Cc1nn2c(C(C)C)c(C(=O)N3CCC(c4ccccc4)C3)ccc2c1-c1c(F)cccc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCD5 Q86SK9 5/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SPR P35270 1/20 0.38
▸ SCD O00767 2/20 0.38
▸ MGLL Q99685 2/20 0.38
▸ HCRTR1 O43613 2/20 0.38
▸ HCRTR2 O43614 2/20 0.38

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
SCHEMBL24251380 0.86 ALOX5AP (0.39) HCRTR1HCRTR2
SCHEMBL24251587 0.85 HPGD (0.44) RAB9ANPC1SMN1; SMN2HCRTR1HCRTR2
SCHEMBL24251588 0.84 HSP90AA1 (0.44) SCD5SCDHCRTR1HCRTR2
SCHEMBL24251385 0.84 SPR (0.40) SCD5SMN1; SMN2SPRHCRTR1HCRTR2
SCHEMBL24251389 0.83 HCRTR1 (0.39) SCD5HCRTR1HCRTR2
SCHEMBL24251549 0.80 SPR (0.36) SPRHCRTR1HCRTR2
SCHEMBL24251391 0.80 CYP3A4 (0.37) SMN1; SMN2SPRHCRTR1HCRTR2
SCHEMBL23355438 0.79 PDE4B (0.35) MAPT
SCHEMBL24251498 0.78 SPR (0.41) SPR
SCHEMBL24251538 0.77 SPR (0.42) MAPTSPRHCRTR1HCRTR2

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 SCD5 3838/4885RAB9A 1451/4885NPC1 1136/4885

“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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