SCHEMBL1395366

SCHEMBL1395366

O=C1NC(=O)C2(CCCc3ccccc32)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 1.00
TSHR P16473 1/20 0.82
TDP1 Q9NUW8 1/20 0.82
CASP6 P55212 1/20 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
SCHEMBL30236599 0.90 TSHR (1.00) AKR1B1TSHRTDP1
SCHEMBL17605022 0.90 TSHR (1.00) AKR1B1TSHRTDP1
SCHEMBL17606122 0.90 TSHR (1.00) AKR1B1TSHRTDP1
SCHEMBL10599632 0.90 TSHR (1.00) AKR1B1TSHRTDP1
SCHEMBL11154103 0.84 AKR1B1 (0.73) AKR1B1TSHRTDP1CASP6
SCHEMBL11379499 0.84 AKR1B1 (0.73) AKR1B1TSHRTDP1CASP6
SCHEMBL11341929 0.80 AKR1B1 (0.67) AKR1B1TSHRTDP1
SCHEMBL11348571 0.80 AKR1B1 (0.67) AKR1B1TSHRTDP1
SCHEMBL448629 0.80 AKR1B1 (0.67) AKR1B1TSHRTDP1
SCHEMBL11344787 0.80 AKR1B1 (0.67) AKR1B1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 WO disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8350076-B2 Sodium channel blockers UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-01-08 US disclosed
US-8350076-B2 Sodium channel blockers UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-01-08 US disclosed
US-7439383-B2 Sodium channel blockers UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-10-21 US disclosed
EP-0115133-B1 SPIRO-3-HETERO-AZOLONES FOR TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1989-01-25 EP disclosed
US-4556670-A Spiro-3-hetero-azolones for treatment of diabetic complications PFIZER INC. (US) 1985-12-03 US disclosed
EP-0115133-A1 Spiro-3-hetero-azolones for treatment of diabetic complications PFIZER INC. (US) 1984-08-08 EP disclosed
EP-0028485-B1 SPIRO-IMIDAZOLONES FOR ALLEVIATING DIABETES-ASSOCIATED CONDITIONS, PROCESSES FOR PREPARING THEM, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1983-08-24 EP disclosed
US-4283409-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1981-08-11 US disclosed
US-4258054-A ANTIDIABETIC PFIZER INC. (US) 1981-03-24 US disclosed
US-4209630-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1980-06-24 US disclosed
US-4147795-A ENZYME INHIBITORS PFIZER INC. (US) 1979-04-03 US disclosed
US-4117230-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1978-09-26 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 (4 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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 AKR1B1 84/4885TSHR 396/4885TDP1 1693/4885
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 AKR1B1 567/4885TSHR 647/4885TDP1 2690/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A AKR1B1 69/4885TSHR 504/4885TDP1 1667/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 AKR1B1 84/4885TSHR 396/4885TDP1 1693/4885

“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.