SCHEMBL8094891

SCHEMBL8094891

CC1C(NC(=O)c2ccc(-c3ccon3)s2)C2CCN1CC2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 16/20 0.47
CHRNB2 P17787 7/20 0.47
CHRNA4 P43681 7/20 0.47
HTR3E A5X5Y0 5/20 0.40
HTR3B O95264 5/20 0.40
HTR3A P46098 5/20 0.40
HTR3D Q70Z44 5/20 0.40
HTR3C Q8WXA8 5/20 0.40
MMP8 P22894 2/20 0.38
MMP3 P08254 1/20 0.38

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
SCHEMBL7061856 1.00 CHRNA7 (0.47) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL7220613 0.83 CHRNA7 (0.54) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL7061274 0.83 CHRNA7 (0.54) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL7062847 0.82 CHRNA7 (0.45) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL7061921 0.82 CHRNA7 (0.46) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL7064143 0.81 CHRNA7 (0.45) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL6804367 0.81 CHRNA7 (0.65) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL7057901 0.81 CHRNA7 (0.65) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL7064071 0.81 CHRNA7 (0.56) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL7063269 0.81 CHRNA7 (0.48) CHRNA7CHRNB2CHRNA4HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3311813-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS Dart Neuroscience (Cayman) Ltd (KY) 2018-04-25 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
US-8222243-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD (KY) 2012-07-17 US 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
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 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 (5 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 CHRNA7 81/4885CHRNB2 85/4885CHRNA4 72/4885
US-20150336941-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH CHRNA7 81/4885CHRNB2 85/4885CHRNA4 72/4885
US-20170204111-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH CHRNA7 81/4885CHRNB2 85/4885CHRNA4 72/4885
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH CHRNA7 81/4885CHRNB2 85/4885CHRNA4 72/4885
US-20090062252-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH CHRNA7 81/4885CHRNB2 85/4885CHRNA4 72/4885

“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.