SCHEMBL6646602

SCHEMBL6646602

COC(=O)c1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 7/20 0.76
ALOX15 P16050 2/20 0.62
HTT P42858 2/20 0.62
HSD17B10 Q99714 2/20 0.62
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
SMYD3 Q9H7B4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
SLC6A4 P31645 1/20 0.49
KCNH2 Q12809 1/20 0.49
PDE3B Q13370 1/20 0.49

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
SCHEMBL7525379 0.91 CRBN (0.64) CRBNALOX15HTTHSD17B10ALDH1A1
SCHEMBL2497788 0.88 CRBN (0.64) CRBNALOX15HTTHSD17B10ALDH1A1
SCHEMBL29754229 0.88 CRBN (0.64) CRBNALOX15HTTHSD17B10ALDH1A1
SCHEMBL20773301 0.86 CRBN (1.00) CRBNALOX15HTTHSD17B10ALDH1A1
SCHEMBL29779535 0.86 CRBN (0.58) CRBNALDH1A1LMNASMYD3HDAC3
SCHEMBL688478 0.86 CRBN (0.58) CRBNALDH1A1LMNASMYD3HDAC3
SCHEMBL7294192 0.84 CRBN (0.56) CRBNALOX15HTTHSD17B10ALDH1A1
SCHEMBL16208448 0.83 CRBN (0.80) CRBNALOX15HTTHSD17B10L3MBTL1
SCHEMBL6776207 0.83 L3MBTL1 (0.62) CRBNALOX15HTTHSD17B10SMYD3
SCHEMBL17957539 0.82 CRBN (0.54) CRBNALOX15HTTHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 EP disclosed
EP-3197879-B1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2020-02-26 EP disclosed
US-10093683-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-09 US disclosed
US-10005771-B2 Bicyclic derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2018-06-26 US disclosed
US-20170275277-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2017-09-28 US disclosed
EP-3197879-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall S.A. (ES) 2017-08-02 EP disclosed
EP-3134408-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-01 EP disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
WO-2016046390-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2016-03-31 WO disclosed
WO-2015164308-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 WO disclosed
EP-0807105-B1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2004-06-16 EP disclosed
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 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 (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-20170044183-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI CRBN 3139/4885ALOX15 1506/4885HTT 4136/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 CRBN 3423/4885ALOX15 1922/4885HTT 4262/4885
US-20170275277-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 CRBN 3512/4885ALOX15 3837/4885HTT 4819/4885
US-10005771-B2 Bicyclic derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ADRB2, CHRM3, CHRM2 CRBN 3783/4885ALOX15 3586/4885HTT 4814/4885

“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.