SCHEMBL2114248

SCHEMBL2114248

CC1CCCC(N2CCC(O)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.39
HRH3 Q9Y5N1 2/20 0.32
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PARP1 P09874 1/20 0.31
GPR119 Q8TDV5 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 0.88 LMNA (0.38) ALDH1A1TSHRUSP2LMNACYP2C9
SCHEMBL14355430 0.85 ALDH1A1 (0.54) ALDH1A1TSHRUSP2HRH3LMNA
SCHEMBL19992499 0.84 KDM4E (0.45) ALDH1A1HRH3KDM4E
SCHEMBL23517478 0.83 ALDH1A1 (0.49) ALDH1A1TSHRUSP2HRH3LMNA
SCHEMBL16566607 0.83 ALDH1A1 (0.49) ALDH1A1TSHRUSP2LMNA
SCHEMBL2116176 0.83 CYP2C9 (0.36) ALDH1A1LMNACYP2C9KDM4EGPR119
SCHEMBL2114244 0.82 ALDH1A1 (0.45) ALDH1A1TSHRUSP2HRH3KDM4E
SCHEMBL15468146 0.81 ALDH1A1 (0.47) ALDH1A1TSHRUSP2
SCHEMBL2116626 0.81 LMNA (0.39) TSHRHRH3LMNACYP2C9GPR119
SCHEMBL429615 0.80 TSHR (0.40) TSHRHRH3GPR119

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 596/4885TSHR 146/4885USP2 3640/4885

“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.