SCHEMBL2117596

SCHEMBL2117596

CC1CCC(N2CCC([O])CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.37
ALOX15 P16050 1/20 0.36
KDM2B Q8NHM5 1/20 0.34
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 2/20 0.33
USP2 O75604 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 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
SCHEMBL2114244 0.87 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRPOLBUSP2
SCHEMBL2116174 0.86 KDM4E (0.34) ALDH1A1KDM4EALOX15KDM2BPOLB
SCHEMBL2116316 0.86 KDM4E (0.47) ALDH1A1KDM4EALOX15KMT2AMEN1
SCHEMBL14355437 0.85
SCHEMBL22995523 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EALOX15KDM2BKMT2A
SCHEMBL2117599 0.80 LMNA (0.38) ALDH1A1KDM4EALOX15KDM2BKMT2A
SCHEMBL26817694 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EALOX15TSHR
SCHEMBL19936695 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EALOX15TSHR
SCHEMBL26817697 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EALOX15TSHR
SCHEMBL19936629 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EALOX15KDM2BKMT2A

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 ALDH1A1 596/4885KDM4E 368/4885ALOX15 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.