SCHEMBL2116508

SCHEMBL2116508

OC1CCN(C2CCCCC(O)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC18A3 Q16572 3/20 0.34
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
HTR6 P50406 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HRH3 Q9Y5N1 2/20 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
SCHEMBL2114695 0.98 TSHR (0.43) TSHRLMNACYP2C9SLC18A3PHGDH
SCHEMBL2116626 0.95 LMNA (0.39) TSHRLMNACYP2C9SLC18A3PHGDH
SCHEMBL9092392 0.91 HTR6 (0.42) LMNACYP2C9SLC18A3PHGDHMGLL
SCHEMBL32671826 0.88 LMNA (0.41) LMNACYP2C9SLC18A3PHGDHMGLL
SCHEMBL2420291 0.88 LMNA (0.41) LMNACYP2C9SLC18A3PHGDHMGLL
SCHEMBL2116507 0.87 LMNA (0.37) TSHRLMNACYP2C9SLC18A3PHGDH
SCHEMBL2117594 0.86 LMNA (0.48) TSHRLMNACYP2C9GPR119HRH3
SCHEMBL987309 0.85 TSHR (0.47) TSHRSLC18A3PHGDHMGLLOPRM1
SCHEMBL2114694 0.85 POLB (0.36) TSHRLMNACYP2C9SLC18A3PHGDH
SCHEMBL2117149 0.84 TSHR (0.48) TSHRSLC18A3PHGDHMGLLOPRM1

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 TSHR 146/4885LMNA 4556/4885CYP2C9 1006/4885

“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.