SCHEMBL570715

SCHEMBL570715

O=C(Nc1ccccc1)N1CCC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
POLB P06746 2/20 0.69
KDM4E B2RXH2 2/20 0.67
SMN1; SMN2 Q16637 4/20 0.63
GAA P10253 2/20 0.63
MAPT P10636 2/20 0.63
FAAH O00519 1/20 0.63
HPGD P15428 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
ALDH1A1 P00352 2/20 0.61
TP53 P04637 1/20 0.61
ME2 P23368 1/20 0.61
ME1 P48163 1/20 0.61
ME3 Q16798 1/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61

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
SCHEMBL4776281 0.96 CYP2C9 (0.71) CYP2C9CYP2C19POLBKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7128759 0.94 POLB (0.72) CYP2C9CYP2C19POLBKDM4ESMN1; SMN2
SCHEMBL420582 0.94 RAB9A (0.69) CYP2C9CYP2C19POLBKDM4ESMN1; SMN2
SCHEMBL4051171 0.94 RAB9A (0.69) CYP2C9CYP2C19POLBKDM4ESMN1; SMN2
SCHEMBL10729724 0.92 KDM4E (0.77) CYP2C9CYP2C19POLBKDM4ESMN1; SMN2
SCHEMBL2897923 0.92 KDM4E (0.77) CYP2C9CYP2C19POLBKDM4ESMN1; SMN2
SCHEMBL20236166 0.86 KDM4E (0.70) CYP2C9CYP2C19POLBKDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL18050103 0.86 KMT2A (0.59) CYP2C9CYP2C19POLBKDM4ESMN1; SMN2
SCHEMBL2027079 0.85 POLB (0.85) CYP2C9CYP2C19POLBKDM4ESMN1; SMN2
SCHEMBL4526073 0.85 KDM4E (0.68) CYP2C9CYP2C19POLBKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601190-B1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2018-07-04 EP disclosed
EP-2697227-A1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS Newlink Genetics Corporation (US) 2014-02-19 EP disclosed
EP-2601190-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS AH USA 42 LLC (US) 2013-06-12 EP disclosed
US-8415310-B2 Isoxazoline derivatives as antiparasitic agents AH USA 42 LLC (US) 2013-04-09 US disclosed
WO-2012142237-A1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS NEWLINK GENETICKS CORPORATION (US) 2012-10-18 WO disclosed
US-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2012-02-09 US disclosed
WO-2012017359-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-02-09 WO disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO 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 (2 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-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ADORA1, CYP3A7, RDX CYP2C9 10/4885CYP2C19 31/4885POLB 1243/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B CYP2C9 4758/4885CYP2C19 4482/4885POLB 701/4885

“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.