SCHEMBL2113722

SCHEMBL2113722

CC(C)C1CCCCN1CCC[O]

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
SLC6A9 P48067 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CXCR4 P61073 5/20 0.32

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
SCHEMBL2113627 0.95 HRH3 (0.37) HRH3SLC6A9S1PR1S1PR3S1PR5
SCHEMBL2118721 0.86 S1PR1 (0.31) S1PR1S1PR3S1PR5CXCR4
SCHEMBL19684428 0.84 S1PR1 (0.39) HRH3S1PR1S1PR3S1PR5
SCHEMBL2116395 0.83 SCN1A (0.31) S1PR1S1PR3S1PR5
SCHEMBL2113723 0.82 GBA1 (0.34) HRH3SLC6A9
SCHEMBL2117162 0.81 S1PR1 (0.31) S1PR1S1PR3S1PR5
SCHEMBL16980418 0.79 KCNK3 (0.36) HRH3SLC6A9S1PR1S1PR3S1PR5
SCHEMBL2115339 0.78 CHRNB4 (0.33)
SCHEMBL24272787 0.76 HRH3 (0.37) HRH3SLC6A9
SCHEMBL2113628 0.76 HRH3 (0.37) HRH3SLC6A9S1PR1S1PR3S1PR5

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 HRH3 1/4885SLC6A9 3171/4885S1PR1 476/4885

“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.