Sugi Predict

Sugi Predict / Compounds / SCHEMBL1268064

SCHEMBL1268064

SCHEMBL1268064

CCOC(=O)[C@]12CCC[C@H](CC1)N2C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ OPRM1 P35372 6/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CHRM1 P11229 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL7458948 0.82 NPSR1 (0.34) MAPTOPRM1OPRD1CHRM1
SCHEMBL29551242 0.80 SIGMAR1 (0.31) —
SCHEMBL19257936 0.80 SLC6A9 (0.30) —
SCHEMBL12222686 0.78 MAPK1 (0.33) POLBKDM4EPKMOPRM1SLC22A1
SCHEMBL19255880 0.76 RAB9A (0.37) LMNAALDH1A1TSHR
SCHEMBL19209345 0.76 CYP1A2 (0.32) —
SCHEMBL30069183 0.74 CHRM2 (0.36) CHRM1SMN1; SMN2
SCHEMBL8660329 0.74 OPRM1 (0.34) POLBOPRM1SLC22A1SLC6A4ADRA1A
SCHEMBL8660331 0.74 OPRM1 (0.34) POLBOPRM1SLC22A1SLC6A4ADRA1A
SCHEMBL5256088 0.72 ALDH1A1 (0.36) POLBKDM4EPKMLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110022865-A METHODS OF MANAGING PAIN USING DEXMEDETOMIDINE TRANSDERMAL DELIVERY DEVICES 帝国制药美国公司 2019-07-16 — — CN disclosed
EP-2702043-A1 INHIBITORS OF INDUCIBLE FORM OF 6-PHOSPHOFRUCTOSE-2-KINASE Exelixis, Inc. (US) 2014-03-05 — — EP disclosed
US-20130345208-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-26 — — US disclosed
US-20130281476-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 — — US disclosed
US-8546414-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-01 — — US disclosed
US-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 — — US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 — — US disclosed
WO-2012149528-A1 INHIBITORS OF INDUCIBLE FORM OF 6-PHOSPHOFRUCTOSE-2-KINASE EXELIXIS, INC. (US) 2012-11-01 — — WO disclosed
US-20120270318-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 — — 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-7767680-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 — — US disclosed
US-20100184753-A1 Ion Channel Modulators and Methods of Uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 — — US disclosed
CN-101031296-A Modulators of muscarinic receptors VERTEX PHARMA (US) 2007-09-05 — — CN disclosed
EP-1809290-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE Vertex Pharmaceuticals Incorporated (US) 2007-07-25 — — EP disclosed
EP-1781288-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-05-09 — — EP disclosed
US-20060160817-A1 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED 2006-07-20 — — US disclosed
WO-2006050476-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-11 — — WO disclosed
US-20060079505-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS, INCORPORATED (US) 2006-04-13 — — US disclosed
WO-2006023852-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS, INCORPORATED (US) 2006-03-02 — — 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 (7 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-20060079505-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 POLB 4473/4885KDM4E 3396/4885PKM 2294/4885
US-20130281476-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 POLB 4473/4885KDM4E 3396/4885PKM 2294/4885
US-20100311720-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM4 POLB 4724/4885KDM4E 3385/4885PKM 1741/4885
US-20060160817-A1 Ion channel modulators and methods of use CACNA1G, CACNA1C, CACNA1B POLB 4729/4885KDM4E 2537/4885PKM 3293/4885
US-20100184753-A1 Ion Channel Modulators and Methods of Uses CACNA1G, CACNA1C, CACNA1B POLB 4754/4885KDM4E 2579/4885PKM 3174/4885
US-20130345208-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1B, TRPV1, CACNA1C POLB 4425/4885KDM4E 1402/4885PKM 1810/4885
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 POLB 4708/4885KDM4E 3467/4885PKM 1705/4885

“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.