SCHEMBL2115057

SCHEMBL2115057

OC1CCN(C2CC(O)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
LMNA P02545 1/20 0.46
GPR119 Q8TDV5 1/20 0.39
TSHR P16473 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
NGLY1 Q96IV0 1/20 0.30
GBA2 Q9HCG7 1/20 0.30
SLC18A3 Q16572 1/20 0.30
GBA1 P04062 1/20 0.30
GANAB Q14697 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
SCHEMBL2117594 0.84 LMNA (0.48) CYP2C9LMNAGPR119TSHRCHRM2
SCHEMBL2115056 0.84 LMNA (0.42) CYP2C9LMNACHRM2CHRM1CHRM3
SCHEMBL446116 0.82 GPR119 (0.42) CYP2C9LMNAGPR119TSHRGAA
SCHEMBL2116176 0.82 CYP2C9 (0.36) CYP2C9LMNAGPR119ALDH1A1GAA
SCHEMBL2114016 0.82 GPR119 (0.34) CYP2C9LMNAGPR119
SCHEMBL2115762 0.82 SLC18A3 (0.35) CYP2C9LMNAGPR119SLC18A3
SCHEMBL12714591 0.82 GPR119 (0.34) CYP2C9LMNAGPR119
SCHEMBL2116444 0.82 GPR119 (0.34) CYP2C9LMNAGPR119
SCHEMBL2116626 0.80 LMNA (0.39) CYP2C9LMNAGPR119TSHRCHRM2
SCHEMBL2116508 0.80 TSHR (0.46) CYP2C9LMNAGPR119TSHRMEN1

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 3 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-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 (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-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 CYP2C9 1006/4885LMNA 4556/4885GPR119 10/4885

“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.