Sugi Predict

Sugi Predict / Compounds / SCHEMBL6524496

SCHEMBL6524496

SCHEMBL6524496

CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.41
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ FPR3 P25089 2/20 0.40
▸ FPR2 P25090 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ ESRRB O95718 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESRRA P11474 1/20 0.39
▸ ESRRG P62508 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ CRBN Q96SW2 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ ACACB O00763 2/20 0.38

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
SCHEMBL16086326 0.93 USP30 (0.45) GPR119HDAC1HDAC8HDAC6FPR3
SCHEMBL16086112 0.93 USP30 (0.45) GPR119HDAC1HDAC8HDAC6FPR3
SCHEMBL16086822 0.93 USP30 (0.45) GPR119HDAC1HDAC8HDAC6FPR3
SCHEMBL2354262 0.86 HDAC2 (0.43) GPR119HDAC1HDAC8HDAC6MAPK1
SCHEMBL1689606 0.86 AVPR1A (0.47) HDAC1HDAC8HDAC6MAPK1USP30
SCHEMBL12199438 0.86 HDAC1 (0.40) GPR119HDAC1HDAC8HDAC6MAPK1
SCHEMBL4264395 0.86 AVPR1A (0.47) HDAC1HDAC8HDAC6MAPK1USP30
SCHEMBL1950597 0.85 HDAC1 (0.41) GPR119HDAC1HDAC8HDAC6MAPK1
SCHEMBL16860912 0.84 GPR119 (0.44) GPR119MAPK1USP30ALK
SCHEMBL1689626 0.83 MAPK1 (0.51) GPR119HDAC1HDAC8HDAC6MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903171-A Integrin inhibitors of a class of bicyclic derivatives 上海如凌生物医药有限公司 2024-04-19 — — CN disclosed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 — — EP disclosed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO disclosed
WO-2018106646-A1 AMINOTRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 — — WO disclosed
EP-3087072-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES Zoetis Services LLC (US) 2016-11-02 — — EP disclosed
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives ZOETIS SERVICES LLC 2016-10-13 — — US disclosed
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives ZOETIS SERVICES LLC 2016-10-13 — — US disclosed
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives ZOETIS SERVICES LLC 2016-10-13 — — US disclosed
US-9346805-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-05-24 — — US disclosed
US-20100311720-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 — — US disclosed
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 — — US disclosed
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 — — US disclosed
US-7786141-B2 Dihydrospiroindene modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 — — US disclosed
US-7786141-B2 Dihydrospiroindene modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 — — US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
WO-2007076070-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 — — WO disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 — — US disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 — — 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 (6 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-20100311720-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM4 GPR119 132/4885HDAC1 818/4885HDAC8 1051/4885
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 GPR119 388/4885HDAC1 2748/4885HDAC8 1907/4885
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives PKD2, PKD1, AVPR2 GPR119 2154/4885HDAC1 824/4885HDAC8 2649/4885
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 GPR119 77/4885HDAC1 1652/4885HDAC8 1819/4885
US-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 GPR119 77/4885HDAC1 1652/4885HDAC8 1819/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 GPR119 77/4885HDAC1 1652/4885HDAC8 1819/4885

“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.