SCHEMBL3689672

SCHEMBL3689672

CC(C)(C)OC(=O)N1CCN(c2nccc3ccc(O)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.53
KIT P10721 2/20 0.50
ACHE P22303 2/20 0.47
TLR9 Q9NR96 3/20 0.46
GBA1 P04062 2/20 0.46
GPR119 Q8TDV5 3/20 0.46
PDE10A Q9Y233 1/20 0.46
ESR2 Q92731 1/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
TLR7 Q9NYK1 2/20 0.44
MAP4K4 O95819 1/20 0.43
POLB P06746 1/20 0.43
LRRK2 Q5S007 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43

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
SCHEMBL17844999 0.88 KIT (0.49) GRIA1KITACHEGBA1PDE10A
SCHEMBL17861324 0.88 GRIA1 (0.55) GRIA1KITACHETLR9GBA1
SCHEMBL12601536 0.88 BACE1 (0.51) GRIA1KITACHETLR9GBA1
SCHEMBL3682487 0.85 KIT (0.47) GRIA1KITACHETLR9GBA1
SCHEMBL1255986 0.85 ACHE (0.59) GRIA1KITACHEGBA1GPR119
SCHEMBL12601535 0.84 PDE10A (0.51) GRIA1KITACHETLR9GBA1
SCHEMBL12601534 0.82 KIT (0.52) GRIA1KITACHETLR9GBA1
SCHEMBL1774286 0.82 KIT (0.45) GRIA1KITACHETLR9GBA1
SCHEMBL1775580 0.81 CNR1 (0.45) GRIA1KITACHEGBA1PDE10A
SCHEMBL1775930 0.81 KIT (0.46) GRIA1KITACHETLR9GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
CN-1922171-B Pyrimidine derivative ASKA PHARM CO LTD 2012-10-17 CN disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
CN-1922171-A Pyrimidine derivatives ASKA PHARM CO LTD (JP) 2007-02-28 CN disclosed
EP-1724267-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2006-11-22 EP 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 (1 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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A GRIA1 1544/4885KIT 440/4885ACHE 3260/4885

“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.