SCHEMBL569714

SCHEMBL569714

c1ccc2c(N3CCC3)cccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.69
HTR5A P47898 2/20 0.69
HSD17B10 Q99714 2/20 0.69
HTR2A P28223 2/20 0.69
HTR7 P34969 2/20 0.69
HTR3A P46098 2/20 0.69
HTR3E A5X5Y0 1/20 0.69
HTR3B O95264 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
NCF1 P14598 1/20 0.69
TSHR P16473 1/20 0.69
NFKB1 P19838 1/20 0.69
HTR1D P28221 1/20 0.69
HTR1B P28222 1/20 0.69
MTOR P42345 1/20 0.69
HTR6 P50406 1/20 0.69
HTR3D Q70Z44 1/20 0.69
HTR3C Q8WXA8 1/20 0.69
SIGMAR1 Q99720 1/20 0.69

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
SCHEMBL1876619 0.96 NCF1 (0.69) HTR1AHTR5AHSD17B10HTR2AHTR7
SCHEMBL3080094 0.94 NCF1 (0.67) HTR1AHTR5AHSD17B10HTR2AHTR7
SCHEMBL7491687 0.94 NCF1 (0.67) HTR1AHTR5AHSD17B10HTR2AHTR7
Lithium SCHEMBL31260768 0.94 NCF1 (0.67) HTR1AHTR5AHSD17B10HTR2AHTR7
SCHEMBL9643856 0.91 HTR1A (0.74) HTR1AHTR5AHSD17B10HTR2AHTR7
Hydrochloric Acid SCHEMBL7203515 0.89 KDM4E (0.75) HTR1AHTR5AHSD17B10HTR2AHTR7
SCHEMBL29081094 0.88 CYP1A2 (0.56) HTR1AHTR5AHSD17B10HTR2AHTR7
SCHEMBL17144774 0.88 NCF1 (0.56) HTR1AHTR5AHSD17B10HTR2AHTR7
SCHEMBL20887135 0.84 NCF1 (0.56) HTR1AHTR5AHSD17B10HTR2AHTR7
SCHEMBL7719591 0.84 HTR6 (0.87) HTR1AHTR5AHSD17B10HTR2AHTR7

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 20 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
CN-104169273-B Dihydrofuran azetidine derivatives as antiparasitic 硕腾服务有限责任公司 2016-11-02 CN disclosed
CN-104271568-B As the azetidine derivatives of antiparasitic ZOETIS SERVICES LLC (US) 2016-05-04 CN disclosed
EP-2814825-B1 DIHYDROFURAN AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2016-03-23 EP disclosed
CN-103270036-B As antiparasitic isoxazoline derivative ZOETIS LLC (US) 2015-11-25 CN disclosed
US-9133172-B2 Dihydrofuran azetidine derivatives as antiparasitic agents ZOETIS SERVICES LLC (US) 2015-09-15 US disclosed
US-9073912-B2 Azetidine derivatives as antiparasitic agents ZOETIS SERVICES LLC (US) 2015-07-07 US disclosed
US-20150119377-A1 AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2015-04-30 US disclosed
EP-2855457-A1 AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS Zoetis Products LLC (US) 2015-04-08 EP disclosed
US-20150038440-A1 DIHYDROFURAN AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2015-02-05 US disclosed
CN-104271568-A Azetidine derivatives as antiparasitic agents ZOETIS LLC 2015-01-07 CN disclosed
EP-2814825-A1 DIHYDROFURAN AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS Zoetis LLC (US) 2014-12-24 EP disclosed
CN-104169273-A Dihydrofuran azetidine derivatives as antiparasitic agents ZOETIS LLC 2014-11-26 CN disclosed
WO-2013169622-A1 AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS LLC (US) 2013-11-14 WO disclosed
CN-103270036-A Isoxazoline derivatives as antiparasitic agents PFIZER 2013-08-28 CN disclosed
WO-2013116230-A1 DIHYDROFURAN AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS LLC (US) 2013-08-08 WO 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
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

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-20150038440-A1 DIHYDROFURAN AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS QDPR, DHFR, DHODH HTR1A 155/4885HTR5A 525/4885HSD17B10 3775/4885
US-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ADORA1, CYP3A7, RDX HTR1A 215/4885HTR5A 729/4885HSD17B10 3995/4885
US-20150119377-A1 AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS CYP1B1, ADORA1, QDPR HTR1A 328/4885HTR5A 840/4885HSD17B10 4181/4885

“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.