SCHEMBL2115222

SCHEMBL2115222

OC1CCCC(N2CCC(O)CC2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HRH3 Q9Y5N1 4/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
SLC18A3 Q16572 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL429615 0.97 TSHR (0.40) TSHRHRH3PHGDHMGLLGPR119
SCHEMBL2114280 0.95 TSHR (0.41) TSHRHRH3PHGDHMGLLGPR119
SCHEMBL987309 0.92 TSHR (0.47) TSHRHRH3PHGDHMGLLGPR119
SCHEMBL2117149 0.90 TSHR (0.48) TSHRHRH3PHGDHMGLLGPR119
SCHEMBL985944 0.90 PHGDH (0.47) TSHRHRH3PHGDHMGLLSLC18A3
SCHEMBL20817364 0.88 TSHR (0.46) TSHRHRH3PHGDHMGLLSLC18A3
SCHEMBL2115220 0.88 TSHR (0.39) TSHRHRH3PHGDHMGLLSLC18A3
SCHEMBL2116626 0.88 LMNA (0.39) TSHRHRH3PHGDHMGLLGPR119
SCHEMBL18566741 0.88 TSHR (0.46) TSHRHRH3PHGDHMGLLSLC18A3
SCHEMBL2118576 0.86 HRH3 (0.38) HRH3PHGDHMGLLGPR119SLC18A3

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 146/4885HRH3 1/4885PHGDH 1091/4885

“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.