SCHEMBL2116507

SCHEMBL2116507

[O]C1CCN(C2CCCCC(O)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SLC18A3 Q16572 2/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
HTR6 P50406 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL2114694 0.98 POLB (0.36) LMNACYP2C9TSHRPOLBHSD17B10
SCHEMBL2116623 0.96 LMNA (0.37) LMNACYP2C9TSHRPOLBHSD17B10
SCHEMBL2117590 0.87 LMNA (0.44) LMNACYP2C9DPP4DPP7
SCHEMBL2116508 0.87 TSHR (0.46) LMNACYP2C9TSHRPOLBHSD17B10
SCHEMBL2114695 0.85 TSHR (0.43) LMNACYP2C9TSHRPOLBHSD17B10
SCHEMBL2117147 0.83 TSHR (0.42) TSHRPOLBHSD17B10SIGMAR1SLC18A3
SCHEMBL2116626 0.83 LMNA (0.39) LMNACYP2C9TSHRSLC18A3PHGDH
SCHEMBL2115220 0.83 TSHR (0.39) TSHRPOLBHSD17B10SIGMAR1SLC18A3
SCHEMBL9092392 0.83 HTR6 (0.42) LMNACYP2C9SLC18A3PHGDHMGLL
SCHEMBL2115056 0.82 LMNA (0.42) LMNACYP2C9SIGMAR1

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 1006/4885TSHR 146/4885

“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.