SCHEMBL2116316

SCHEMBL2116316

CC1CCC(N2CCC([O])CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 1/20 0.46
POLB P06746 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
DHCR7 Q9UBM7 3/20 0.38
EBP Q15125 2/20 0.38
CYP2D6 P10635 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL19853574 0.87 KDM4E (0.47) KDM4EALDH1A1ALOX15POLBKMT2A
SCHEMBL14175056 0.87 KDM4E (0.47) KDM4EALDH1A1ALOX15POLBKMT2A
SCHEMBL446115 0.87 CYP2D6 (0.34) KDM4EALDH1A1ALOX15POLBCYP2D6
SCHEMBL2117596 0.86 ALDH1A1 (0.37) KDM4EALDH1A1ALOX15POLBKMT2A
SCHEMBL18411956 0.84 KDM4E (0.48) KDM4EALDH1A1ALOX15POLBKMT2A
SCHEMBL18976856 0.84 KDM4E (0.53) KDM4EALDH1A1ALOX15POLBKMT2A
SCHEMBL14355433 0.84 KDM4E (0.53) KDM4EALDH1A1ALOX15POLBKMT2A
SCHEMBL26118274 0.84 KDM4E (0.47) KDM4EALDH1A1ALOX15POLBKMT2A
SCHEMBL82615 0.84 KDM4E (0.47) KDM4EALDH1A1ALOX15POLBKMT2A
SCHEMBL21931367 0.80 KDM4E (0.47) KDM4EALDH1A1ALOX15POLBKMT2A

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 KDM4E 368/4885ALDH1A1 596/4885ALOX15 449/4885

“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.