SCHEMBL7991803

SCHEMBL7991803

Cn1c(-c2ccccc2Cl)nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.51

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
SCHEMBL7974503 0.93 HSD11B1 (0.54) HSD11B1
SCHEMBL12671081 0.92 HSD11B1 (0.53) HSD11B1
SCHEMBL12671073 0.87 HSD11B1 (0.53) HSD11B1
SCHEMBL12671301 0.85 HSD11B1 (0.39) HSD11B1
SCHEMBL12671259 0.84 HSD11B1 (0.43) HSD11B1
SCHEMBL7991823 0.83 HSD11B1 (0.46) HSD11B1
SCHEMBL12671279 0.82 HSD11B1 (0.55) HSD11B1
SCHEMBL7970939 0.82 HSD11B1 (0.43) HSD11B1
SCHEMBL29306610 0.82 HSD11B1 (0.45) HSD11B1
SCHEMBL12671092 0.81 HSD11B1 (0.46) HSD11B1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327474-A1 THERAPEUTIC AGENT FOR PAIN ASTELLAS PHARMA INC. (JP) 2017-11-16 US claimed
US-9765040-B2 Therapeutic agent for pain ASTELLAS PHARMA INC. (JP) 2017-09-19 US claimed
EP-2614824-B1 TRIAZOLE DERIVATIVE FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN AND FIBROMYALGIA ASTELLAS PHARMA INC (JP) 2015-03-11 EP claimed
EP-2614824-A1 THERAPEUTIC AGENT FOR PAIN Astellas Pharma Inc. (JP) 2013-07-17 EP claimed
US-20130165491-A1 THERAPEUTIC AGENT FOR PAIN ASTELLAS PHARMA INC. (JP) 2013-06-27 US claimed
US-20170327474-A1 THERAPEUTIC AGENT FOR PAIN ASTELLAS PHARMA INC. (JP) 2017-11-16 US disclosed
US-20170327474-A1 THERAPEUTIC AGENT FOR PAIN ASTELLAS PHARMA INC. (JP) 2017-11-16 US disclosed
US-20170327474-A1 THERAPEUTIC AGENT FOR PAIN ASTELLAS PHARMA INC. (JP) 2017-11-16 US disclosed
US-9765040-B2 Therapeutic agent for pain ASTELLAS PHARMA INC. (JP) 2017-09-19 US disclosed
US-9765040-B2 Therapeutic agent for pain ASTELLAS PHARMA INC. (JP) 2017-09-19 US disclosed
US-9765040-B2 Therapeutic agent for pain ASTELLAS PHARMA INC. (JP) 2017-09-19 US disclosed
EP-2614824-B1 TRIAZOLE DERIVATIVE FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN AND FIBROMYALGIA ASTELLAS PHARMA INC (JP) 2015-03-11 EP disclosed
US-20130165491-A1 THERAPEUTIC AGENT FOR PAIN ASTELLAS PHARMA INC. (JP) 2013-06-27 US disclosed
US-20130165491-A1 THERAPEUTIC AGENT FOR PAIN ASTELLAS PHARMA INC. (JP) 2013-06-27 US disclosed
US-20130165491-A1 THERAPEUTIC AGENT FOR PAIN ASTELLAS PHARMA INC. (JP) 2013-06-27 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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-20130165491-A1 THERAPEUTIC AGENT FOR PAIN HSD11B1, HSD3B1, HSD17B1 HSD11B1 1/4885
US-20170327474-A1 THERAPEUTIC AGENT FOR PAIN HSD11B1, HSD3B1, HSD17B1 HSD11B1 1/4885
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885

“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.