SCHEMBL2591940

SCHEMBL2591940

CCc1cc(F)ccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.43
AR P10275 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
DPP4 P27487 4/20 0.39
MPO P05164 1/20 0.39
IDH1 O75874 1/20 0.39
PGR P06401 1/20 0.39
KCNH2 Q12809 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
HSP90AB1 P08238 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL16313509 0.85 AR (0.45) SLC22A12ARMAOAMAOBDPP4
SCHEMBL8415471 0.84 AR (0.39) SLC22A12ARMAOAMAOBDPP4
SCHEMBL14039187 0.82 MAOA (0.42) SLC22A12ARMAOAMAOBDPP4
SCHEMBL551615 0.81 SLC6A4 (0.45)
SCHEMBL13041692 0.81 HTR2A (0.47) MAOAMAOBMPOIDH1KCNH2
SCHEMBL3751942 0.80 KDM4E (0.43) SLC22A12ARMAOAMAOBMPO
SCHEMBL19437202 0.80 MAOA (0.41) SLC22A12ARMAOAMAOBDPP4
SCHEMBL305457 0.80 MAOA (0.41) ARMAOAMAOBDPP4MPO
SCHEMBL22904292 0.80 MAOA (0.41) ARMAOAMAOBDPP4MPO
SCHEMBL8236340 0.80 MAOA (0.41) SLC22A12ARMAOAMAOBDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107698560-A One koji Ge Lieting preparation method 石家庄度恩医药科技有限公司 2018-02-16 CN claimed
US-20230357279-A1 SPIROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2023-11-09 US disclosed
WO-2023125792-A1 MULTI-SUBSTITUTED URACIL DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 杭州奥默医药股份有限公司 2023-07-06 WO disclosed
WO-2021226208-A2 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. (US) 2021-11-11 WO disclosed
CN-109668988-A A method of 2- (two bromomethyls) -4- fluorobenzonitrile in analysis measurement amber love song Ge Lieting 浙江华贝药业有限责任公司 2019-04-23 CN disclosed
CN-108368090-A Compounds as Immunomodulators 百时美施贵宝公司 2018-08-03 CN disclosed
CN-108017614-A DPP-4 inhibitor and its application in treatment diabetes B medicine is prepared 中国科学院海洋研究所 2018-05-11 CN disclosed
CN-107698560-A One koji Ge Lieting preparation method 石家庄度恩医药科技有限公司 2018-02-16 CN disclosed
CN-107250126-A Long-acting dipeptidyl peptidase-IV inhibitor, application and preparation method thereof 四川科伦博泰生物医药股份有限公司 2017-10-13 CN disclosed
CN-103848811-B Uracil derivant, its preparation method and application thereof 齐鲁制药有限公司 2016-12-21 CN disclosed
EP-1829877-A1 BICYCLIC PYRROLE DERIVATIVES Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-05 EP disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed
WO-2007039178-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039178-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039172-A1 PHENYL- AND PYRIDYL-I, 2 , 4 -OXADIAZOLONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
US-20050010045-A1 Reacting morpholine compound with a substituted benzene compound TIAN WEI (SE) 2005-01-13 US disclosed
US-6689882-B2 REACTING A MORPHOLINE WITH A SUBSTITUTED BENZENE, WHEREIN MORPHOLINE IS USED AS A REACTANT AND AS THE ONLY ONE SOLVENT ASTRAZENECA AB (SE) 2004-02-10 US disclosed
US-20030171581-A1 Process for the synthesis of morpholinylbenzenes ASTRAZENECA AB (SE) 2003-09-11 US disclosed
EP-1286977-A1 A NEW PROCESS FOR THE SYNTHESIS OF MORPHOLINYLBENZENES AstraZeneca AB (SE) 2003-03-05 EP disclosed
WO-2001087865-A1 A NEW PROCESS FOR THE SYNTHESIS OF MORPHOLINYLBENZENES ASTRAZENECA AB (SE) 2001-11-22 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 (3 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-20030171581-A1 Process for the synthesis of morpholinylbenzenes CYP1B1, TBCB, MAP1B SLC22A12 4042/4885AR 3231/4885MAOA 327/4885
US-20050010045-A1 Reacting morpholine compound with a substituted benzene compound CYP1B1, MYB, MYBBP1A SLC22A12 4048/4885AR 1653/4885MAOA 206/4885
US-20230357279-A1 SPIROCYCLIC COMPOUNDS PKD1, PKD2, CCNI SLC22A12 1499/4885AR 50/4885MAOA 3883/4885

“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.