SCHEMBL2114694

SCHEMBL2114694

[O]C1CCN(C2CCCCCC(O)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIGMAR1 Q99720 3/20 0.36
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
PHGDH O43175 1/20 0.35
MGLL Q99685 1/20 0.35
TSHR P16473 1/20 0.35
SLC18A3 Q16572 2/20 0.34
OPRM1 P35372 3/20 0.34
OPRL1 P41146 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
OPRK1 P41145 2/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL2116507 0.98 LMNA (0.37) POLBHSD17B10SIGMAR1LMNACYP2C9
SCHEMBL2116623 0.94 LMNA (0.37) POLBHSD17B10SIGMAR1LMNACYP2C9
SCHEMBL2114695 0.88 TSHR (0.43) POLBHSD17B10LMNACYP2C9PHGDH
SCHEMBL2117590 0.85 LMNA (0.44) LMNACYP2C9
SCHEMBL2116508 0.85 TSHR (0.46) POLBHSD17B10LMNACYP2C9PHGDH
SCHEMBL2117147 0.82 TSHR (0.42) POLBHSD17B10SIGMAR1PHGDHMGLL
SCHEMBL8989851 0.81 LMNA (0.39) LMNACYP2C9PHGDHMGLLHRH3
SCHEMBL9092392 0.81 HTR6 (0.42) LMNACYP2C9PHGDHMGLLSLC18A3
SCHEMBL2116626 0.81 LMNA (0.39) LMNACYP2C9PHGDHMGLLTSHR
SCHEMBL2115220 0.81 TSHR (0.39) POLBHSD17B10SIGMAR1PHGDHMGLL

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 POLB 3462/4885HSD17B10 504/4885SIGMAR1 86/4885

“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.