SCHEMBL871298

SCHEMBL871298

CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.Fc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.41
▸ CCR5 P51681 2/20 0.41
▸ CCR8 P51685 2/20 0.41
▸ ALOX5AP P20292 1/20 0.39
▸ METAP2 P50579 1/20 0.36
▸ KIF11 P52732 3/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ACHE P22303 3/20 0.34
▸ SYK P43405 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31

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
SCHEMBL29453375 0.91 CCR1 (0.48) CCR1CCR5CCR8ALOX5APMETAP2
SCHEMBL29373631 0.91 CCR1 (0.48) CCR1CCR5CCR8ALOX5APMETAP2
SCHEMBL347025 0.91 CCR1 (0.48) CCR1CCR5CCR8ALOX5APMETAP2
SCHEMBL15663789 0.89 CCR1 (0.46) CCR1CCR5CCR8ALOX5APMETAP2
SCHEMBL31258695 0.89 CCR1 (0.46) CCR1CCR5CCR8ALOX5APMETAP2
Hydrochloric Acid SCHEMBL23538061 0.89 CCR1 (0.46) CCR1CCR5CCR8ALOX5APMETAP2
Lithium SCHEMBL31260758 0.89 CCR1 (0.46) CCR1CCR5CCR8ALOX5APMETAP2
Hydrochloric Acid SCHEMBL30917887 0.89 CCR1 (0.46) CCR1CCR5CCR8ALOX5APMETAP2
SCHEMBL335953 0.89 CCR1 (0.46) CCR1CCR5CCR8ALOX5APMETAP2
SCHEMBL23459202 0.89 CCR1 (0.46) CCR1CCR5CCR8ALOX5APMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619189-B1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2020-04-15 — — EP disclosed
EP-2619189-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS Zoetis LLC (US) 2013-07-31 — — EP disclosed
US-8404649-B2 Isoxazoline oximes as antiparasitic agents AH USA 42 LLC (US) 2013-03-26 — — US disclosed
WO-2012038851-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 — — WO disclosed
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 — — 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-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS CYP1A2, CYP3A7, CYP2E1 CCR1 2908/4885CCR5 3245/4885CCR8 3747/4885

“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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