SCHEMBL13642453

SCHEMBL13642453

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.49
▸ SCN9A Q15858 1/20 0.46
▸ CSF1R P07333 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ GPR119 Q8TDV5 13/20 0.44
▸ AAK1 Q2M2I8 1/20 0.43
▸ FAAH O00519 1/20 0.41
▸ CHEK2 O96017 1/20 0.40

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
SCHEMBL16688916 0.92 USP30 (0.50) USP30CSF1RGPR119AAK1FAAH
SCHEMBL16520031 0.88 GPR119 (0.53) USP30SCN9AGPR119
SCHEMBL2146881 0.88 USP30 (0.47) USP30SCN9ACSF1RKDRGPR119
SCHEMBL19336712 0.88 USP30 (0.47) USP30SCN9ACSF1RKDRGPR119
SCHEMBL16520043 0.88 USP30 (0.47) USP30SCN9ACSF1RKDRGPR119
SCHEMBL13642308 0.84 USP30 (0.51) USP30SCN9ACSF1RKDRGPR119
SCHEMBL23122024 0.81 USP30 (0.49) USP30CSF1RGPR119AAK1
SCHEMBL18825434 0.81 USP30 (0.49) USP30SCN9ACSF1RGPR119AAK1
SCHEMBL31223016 0.81 USP30 (0.52) USP30GPR119
SCHEMBL13642264 0.80 SCN9A (0.52) SCN9ACSF1RKDRGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585889-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2017-03-07 — — US disclosed
US-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2016-08-11 — — US disclosed
US-9328118-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-05-03 — — US disclosed
US-9115126-B2 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derivatives MERCK SHARP & DOHME B.V. (NL) 2015-08-25 — — US disclosed
US-20150126488-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2015-05-07 — — US disclosed
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD OSS B.V. (NL) 2012-11-08 — — 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-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES CTSS, CTSV, CTSZ USP30 1503/4885SCN9A 938/4885CSF1R 234/4885
US-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND CTSS, CTSV, CTSB USP30 2758/4885SCN9A 3190/4885CSF1R 303/4885
US-20150126488-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND CTSS, CTSV, CTSB USP30 3065/4885SCN9A 2973/4885CSF1R 265/4885

“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.

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