SCHEMBL2116176

SCHEMBL2116176

CC1CC(N2CCC(O)CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.36
LMNA P02545 1/20 0.36
GPR119 Q8TDV5 2/20 0.34
KDM4E B2RXH2 3/20 0.33
POLB P06746 1/20 0.33
GAA P10253 2/20 0.31
TRPA1 O75762 2/20 0.31
TRPM8 Q7Z2W7 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NGLY1 Q96IV0 1/20 0.31
GBA2 Q9HCG7 1/20 0.31
GBA1 P04062 1/20 0.31
GANAB Q14697 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL2117599 0.86 LMNA (0.38) CYP2C9LMNAGPR119KDM4EPOLB
SCHEMBL2114248 0.83 ALDH1A1 (0.44) CYP2C9LMNAGPR119KDM4EALDH1A1
SCHEMBL22737161 0.82 KDM4E (0.40) CYP2C9KDM4EPOLBMEN1CYP1A2
SCHEMBL2115057 0.82 CYP2C9 (0.46) CYP2C9LMNAGPR119GAAMEN1
SCHEMBL2116174 0.78 KDM4E (0.34) KDM4EPOLBALDH1A1ALOX15
SCHEMBL10217125 0.77 OPRL1 (0.39) CYP2C9LMNAGPR119
SCHEMBL446116 0.76 GPR119 (0.42) CYP2C9LMNAGPR119GAAMEN1
SCHEMBL7694999 0.76 KDM4E (0.44) CYP2C9LMNAKDM4EPOLBMEN1
SCHEMBL12717986 0.76 L3MBTL3 (0.43) KDM4EPOLBCYP2C19
SCHEMBL2116444 0.76 GPR119 (0.34) CYP2C9LMNAGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158652-B2 1-Difluoromethyl-5-{4-[3-(1-piperidinyl)propoxy]phenyl}-2(1H)-pyridone; compounds act as histamine-H3 receptor antagonistic substances or inverse-agonistic substances; useful as preventives or remedies for various circular system diseases, nervous system diseases, metabolic system diseases MSD K.K. (JP) 2012-04-17 US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
US-20080269287-A1 Substituted Pyridone Derivative MSD K.K. (JP) 2008-10-30 US disclosed
EP-1820797-A1 SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-22 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 (4 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CYP2C9 2904/4885LMNA 588/4885GPR119 901/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CYP2C9 2904/4885LMNA 588/4885GPR119 901/4885
US-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 CYP2C9 1006/4885LMNA 4556/4885GPR119 10/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CYP2C9 2904/4885LMNA 588/4885GPR119 901/4885

“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.