SCHEMBL1289848

SCHEMBL1289848

CC(C)(C)OC(=O)N1C2C[CH]CC1CC2

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.64
CHRM1 P11229 1/20 0.64
CHRM3 P20309 1/20 0.64
PREP P48147 4/20 0.50
HSD11B1 P28845 1/20 0.48
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.38
GPR119 Q8TDV5 4/20 0.38
JAK1 P23458 2/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL30554036 0.89 CHRM2 (0.64) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL25010681 0.86 CHRM2 (0.75) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL2123260 0.86 CHRM2 (0.75) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL12345350 0.81 CHRM2 (0.68) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL20635190 0.81 CHRM2 (0.68) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL5198741 0.81 CHRM2 (0.68) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL30968119 0.81 CHRM2 (0.68) CHRM2CHRM1CHRM3PREPHSD11B1
Formic Acid SCHEMBL6383647 0.79 CHRM2 (0.66) CHRM2CHRM1CHRM3PREPHSD11B1
Ammonia Solution, Strong SCHEMBL14919387 0.79 CHRM2 (0.66) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL1713310 0.79 GRM5 (0.43) CHRM2CHRM1CHRM3KCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402791-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2018-11-21 EP claimed
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2018-06-19 US claimed
US-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-08-17 US claimed
WO-2017123542-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-07-20 WO claimed
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US claimed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US claimed
EP-1863490-A2 MUSCARINIC MODULATORS Vertex Pharmaceuticals Incorporated (US) 2007-12-12 EP claimed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US claimed
WO-2006105035-A2 MUSCARINIC MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-05 WO claimed
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases SYROS PHARMACEUTICALS, INC. (US) 2021-06-22 US disclosed
US-20210147431-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS INC (US) 2021-05-20 US disclosed
US-10981926-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2021-04-20 US disclosed
CN-112368285-A Pyrrolotriazine compounds and methods of inhibiting TAM kinase 希洛斯医药品股份有限公司 2021-02-12 CN disclosed
US-20200317676-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS, INC. (US) 2020-10-08 US disclosed
WO-2012046132-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-04-12 WO disclosed
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US disclosed
EP-1863490-A2 MUSCARINIC MODULATORS Vertex Pharmaceuticals Incorporated (US) 2007-12-12 EP disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
WO-2006105035-A2 MUSCARINIC MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-05 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 (8 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-20070054911-A1 Muscarinic modulators CHRM3, CHRM5, CHRM4 CHRM2 4/4885CHRM1 5/4885CHRM3 1/4885
US-10981926-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists AR, SHBG, NR5A1 CHRM2 1855/4885CHRM1 1939/4885CHRM3 1582/4885
US-20210147431-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES PLK2, MAP3K5, CAMKK2 CHRM2 4124/4885CHRM1 4143/4885CHRM3 4138/4885
US-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS AR, SHBG, NR5A1 CHRM2 1855/4885CHRM1 1939/4885CHRM3 1582/4885
US-20200317676-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES PLK2, MAP3K5, CAMKK2 CHRM2 4124/4885CHRM1 4143/4885CHRM3 4138/4885
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists AR, SHBG, NR5A1 CHRM2 1855/4885CHRM1 1939/4885CHRM3 1582/4885
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases PLK2, MAP3K5, CAMKK2 CHRM2 4124/4885CHRM1 4143/4885CHRM3 4138/4885
US-20080090826-A9 Muscarinic modulators CHRM3, CHRM5, CHRM4 CHRM2 4/4885CHRM1 5/4885CHRM3 1/4885

“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.