Sugi Predict

Sugi Predict / Compounds / SCHEMBL1223344

SCHEMBL1223344

SCHEMBL1223344

Cc1ccc2c(c1)C1(CCNCC1)CN2C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ AKT1 P31749 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.33
▸ GABRD O14764 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ GABRA4 P48169 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL20955744 0.87 NOTUM (0.57) NOTUMKDM1AHDAC1HDAC8HDAC6
SCHEMBL1195029 0.87 AKT1 (0.41) NOTUMKDM1AHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL17008459 0.86 AKT1 (0.41) NOTUMKDM1AHDAC1HDAC8HDAC6
SCHEMBL30413026 0.84 NOTUM (0.53) NOTUMKDM1AHDAC1HDAC8HDAC6
SCHEMBL1222469 0.84 NOTUM (0.53) NOTUMKDM1AHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL25232027 0.83 NOTUM (0.52) NOTUMKDM1AHDAC1HDAC8HDAC6
SCHEMBL6543216 0.83 NOTUM (0.59) NOTUMAKT1GABRDGABRA1GABRB1
SCHEMBL5599208 0.81 KDM1A (0.33) KDM1AHDAC1HDAC8HDAC6
SCHEMBL5599315 0.81 DPP4 (0.37) NOTUMKDM1AHDAC1HDAC8HDAC6
SCHEMBL5599635 0.80 HDAC1 (0.38) NOTUMKDM1AHDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927715-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2015-01-06 — — US disclosed
US-8927715-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2015-01-06 — — US disclosed
US-20130281476-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 — — US disclosed
US-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 — — US disclosed
EP-2265588-B1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2013-06-26 — — EP disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 — — US disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 — — US disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 — — US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 — — US disclosed
US-8258148-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-04 — — US disclosed
US-20100311720-A1 Spiroindoline 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
WO-2009108332-A1 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-09-03 — — WO disclosed
WO-2008024497-A2 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-02-28 — — WO 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 (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-20130281476-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 NOTUM 1391/4885KDM1A 2615/4885HDAC1 1652/4885
US-20100311720-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM4 NOTUM 2727/4885KDM1A 2769/4885HDAC1 818/4885
US-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 NOTUM 1391/4885KDM1A 2615/4885HDAC1 1652/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 NOTUM 1391/4885KDM1A 2615/4885HDAC1 1652/4885
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 NOTUM 2979/4885KDM1A 2850/4885HDAC1 920/4885

“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.