SCHEMBL6587582

SCHEMBL6587582

c1ccc(-c2ccc(OC3CNC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A3 Q01959 2/20 0.53
HTR1A P08908 1/20 0.53
NAAA Q02083 1/20 0.53
HRH1 P35367 2/20 0.50
HTR6 P50406 1/20 0.44

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
Hydrochloric Acid SCHEMBL517553 0.98 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3HTR1ANAAA
SCHEMBL624855 0.87 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR1AHRH1
Hydrochloric Acid SCHEMBL795619 0.85 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HTR1AHRH1
SCHEMBL2300957 0.83 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR1AHRH1
SCHEMBL6608784 0.81 NAAA (0.58) SLC6A4SLC6A2SLC6A3NAAAHRH1
SCHEMBL5204218 0.81 HRH1 (0.79) SLC6A4SLC6A2SLC6A3HTR1ANAAA
SCHEMBL19334368 0.79 HRH1 (0.64) SLC6A4SLC6A2SLC6A3HTR1AHRH1
Oxalic Acid SCHEMBL9595892 0.78 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3HTR1AHRH1
SCHEMBL2582519 0.77 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3HTR1AHRH1
SCHEMBL13703555 0.77 HRH1 (0.71) SLC6A4SLC6A2SLC6A3HTR1ANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10918640-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2021-02-16 US disclosed
US-10383871-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2019-08-20 US disclosed
US-20170196864-A1 Azetidine Derivatives VERNALIS DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-9475800-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2016-10-25 US disclosed
EP-2265578-B1 AZETIDINE DERIVATIVES VERNALIS R&D LTD (GB) 2015-09-16 EP disclosed
US-20150183769-A1 Azetidine Derivatives VERNALIS DEVELOPMENT LIMITED (GB) 2015-07-02 US disclosed
US-9006269-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2015-04-14 US disclosed
US-8450346-B2 Azetidine derivatives as FAAH inhibitors VERNALIS (R&D) LTD. (GB) 2013-05-28 US disclosed
US-20120028953-A1 Azetidine Derivatives VERNALIS (R&D) LTD. (GB) 2012-02-02 US disclosed
WO-2009109743-A1 AZETIDINE DERIVATIVES VERNALIS (R&D) LTD. (GB) 2009-09-11 WO disclosed
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP disclosed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 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 (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-10918640-B2 Azetidine derivatives FAAH2, FAAH, APEH SLC6A4 750/4885SLC6A2 1145/4885SLC6A3 869/4885
US-20120028953-A1 Azetidine Derivatives FAAH2, FAAH, APEH SLC6A4 719/4885SLC6A2 1159/4885SLC6A3 792/4885
US-20150183769-A1 Azetidine Derivatives FAAH2, FAAH, APEH SLC6A4 746/4885SLC6A2 1209/4885SLC6A3 994/4885
US-20170196864-A1 Azetidine Derivatives FAAH2, FAAH, APEH SLC6A4 750/4885SLC6A2 1145/4885SLC6A3 869/4885
US-10383871-B2 Azetidine derivatives FAAH2, FAAH, APEH SLC6A4 750/4885SLC6A2 1145/4885SLC6A3 869/4885

“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.