SCHEMBL2117599

SCHEMBL2117599

CC1CCC(N2CCC(O)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALOX15 P16050 1/20 0.35
TRPA1 O75762 2/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
GPR119 Q8TDV5 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
KDM2B Q8NHM5 1/20 0.31
USP2 O75604 1/20 0.30
KMT2A Q03164 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
SCHEMBL2114248 0.88 ALDH1A1 (0.44) LMNACYP2C9ALDH1A1KDM4EGPR119
SCHEMBL2116176 0.86 CYP2C9 (0.36) LMNACYP2C9ALDH1A1KDM4EALOX15
SCHEMBL14355437 0.84
SCHEMBL2117596 0.80 ALDH1A1 (0.37) ALDH1A1KDM4EALOX15TSHRPOLB
SCHEMBL22995523 0.79 ALDH1A1 (0.39) LMNAALDH1A1KDM4EALOX15TSHR
SCHEMBL2117594 0.79 LMNA (0.48) LMNACYP2C9ALDH1A1GPR119TSHR
SCHEMBL19992499 0.79 KDM4E (0.45) ALDH1A1KDM4EALOX15POLBKMT2A
SCHEMBL446116 0.78 GPR119 (0.42) LMNACYP2C9GPR119TSHRKMT2A
SCHEMBL19936695 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EALOX15TSHR
SCHEMBL26817697 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EALOX15TSHR

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 LMNA 4556/4885CYP2C9 1006/4885ALDH1A1 596/4885

“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.