SCHEMBL3254587

SCHEMBL3254587

CCCCCCN1[CH]CNCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 10/20 0.40
GNAI3 P08754 9/20 0.40
GNAI1 P63096 9/20 0.40
SOD3 P08294 2/20 0.38
ALOX5 P09917 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MGLL Q99685 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 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
SCHEMBL254649 0.98 GNAO1 (0.38) GNAO1GNAI3GNAI1SOD3ALOX5
SCHEMBL3253791 0.92 MEN1 (0.35) GNAO1GNAI3GNAI1SOD3
SCHEMBL3044885 0.84
SCHEMBL6961881 0.77 KEAP1 (0.32) CYP2D6
SCHEMBL11969012 0.73 OPRD1 (0.30)
SCHEMBL9167013 0.71 GNAI3 (0.38) GNAO1GNAI3GNAI1ALOX5ALDH1A1
SCHEMBL294888 0.71 GNAI3 (0.38) GNAO1GNAI3GNAI1ALOX5ALDH1A1
SCHEMBL29082796 0.71
SCHEMBL26972362 0.70 GNAO1 (0.37) GNAO1GNAI3GNAI1SOD3ALOX5
SCHEMBL28000173 0.70 GNAO1 (0.37) GNAO1GNAI3GNAI1SOD3ALDH1A1

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-3311813-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-08-07 EP disclosed
US-10053467-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-08-21 US disclosed
EP-3311813-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS Dart Neuroscience (Cayman) Ltd (KY) 2018-04-25 EP disclosed
EP-2182809-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2018-01-17 EP disclosed
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE LLC 2017-07-20 US disclosed
US-9650349-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-05-16 US disclosed
US-20150336941-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE LLC 2015-11-26 US disclosed
US-9029397-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-05-12 US disclosed
US-8921399-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-12-30 US disclosed
US-20130053361-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2013-02-28 US disclosed
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2012-08-09 US disclosed
US-8222243-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD (KY) 2012-07-17 US disclosed
EP-2182809-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS Helicon Therapeutics, Inc. (US) 2010-05-12 EP disclosed
WO-2009029632-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 WO disclosed
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 US disclosed
EP-0177287-B1 PYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND COMPOSITION OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-05 EP disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed
US-4727073-A CEREBOVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-23 US disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
EP-0177287-A2 Pyrimidine derivatives, processes for preparation thereof and composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-09 EP 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 (6 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-20130053361-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH GNAO1 682/4885GNAI3 2388/4885GNAI1 2227/4885
US-10053467-B2 Therapeutic isoxazole compounds MAOB, MAOA, XDH GNAO1 682/4885GNAI3 2388/4885GNAI1 2227/4885
US-20150336941-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH GNAO1 682/4885GNAI3 2388/4885GNAI1 2227/4885
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH GNAO1 682/4885GNAI3 2388/4885GNAI1 2227/4885
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH GNAO1 682/4885GNAI3 2388/4885GNAI1 2227/4885
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH GNAO1 682/4885GNAI3 2388/4885GNAI1 2227/4885

“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.