SCHEMBL16675996

SCHEMBL16675996

Cc1ccc2c(c1)COC21CN(C)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.38
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
F2 P00734 2/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PARP1 P09874 1/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
OPRD1 P41143 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL11835236 0.85 AVPR1A (0.47) AVPR1AOPRD1
SCHEMBL24988371 0.83 AVPR1A (0.36) AVPR1A
SCHEMBL12164932 0.82 SLC6A4 (0.39) PARP1SLC6A4
SCHEMBL20290358 0.82 SIGMAR1 (0.38) OPRD1
SCHEMBL24988726 0.80 SLC6A2 (0.35) PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL12164938 0.78 MAPT (0.46) KDM4E
SCHEMBL24988737 0.78 AVPR1A (0.34) AVPR1AOPRD1
SCHEMBL16939880 0.78 AVPR1A (0.36) AVPR1A
SCHEMBL21788649 0.77 OPRD1 (0.45) AVPR1AOPRD1
SCHEMBL8555154 0.76 GRIN1 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858904-B2 Process for preparing large size isoxazoline particles INTERVET INC. (JE) 2024-01-02 US disclosed
EP-3668866-B1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2023-01-18 EP disclosed
WO-2020225143-A1 INJECTABLE PHARMACEUTICAL COMPOSITIONS AND USES THEREOF INTERVET INTERNATIONAL B.V. (NL) 2020-11-12 WO disclosed
WO-2019036407-A1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS MERIAL, INC. (US) 2019-02-21 WO disclosed
US-9371293-B2 Isoxazoline compound composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-21 US disclosed
US-20150119432-A1 ISOXAZOLINE COMPOUND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-30 US disclosed
US-20140107127-A1 PYRAZINOISOQUINOLINE COMPOUNDS SUN PHARMACEUTICAL INDUSTRIES, INC. 2014-04-17 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 (3 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-11858904-B2 Process for preparing large size isoxazoline particles PDE8A, RPS4X, MRPS27 AVPR1A 783/4885KDM4E 3208/4885ALDH1A1 1502/4885
US-20150119432-A1 ISOXAZOLINE COMPOUND COMPOSITION CHRNA7, CYP3A7, CYP4X1 AVPR1A 505/4885KDM4E 1605/4885ALDH1A1 1490/4885
US-20140107127-A1 PYRAZINOISOQUINOLINE COMPOUNDS ACHE, ABCC5, ABCC2 AVPR1A 2959/4885KDM4E 2596/4885ALDH1A1 477/4885

“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.