SCHEMBL2118575

SCHEMBL2118575

[O]C1CCN(C2CCCC(Cl)CCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
L3MBTL3 Q96JM7 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SLC18A3 Q16572 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
PARP1 P09874 3/20 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
SCHEMBL2115024 0.96 ALPL (0.35) ALPLALPIALPGKMT2APOLB
SCHEMBL2118736 0.91 POLB (0.37) KMT2APOLBHSD17B10SIGMAR1HRH3
SCHEMBL1814912 0.88 SLC18A3 (0.39) KMT2APOLBHSD17B10SIGMAR1L3MBTL3
SCHEMBL2115415 0.87 PARP1 (0.31) POLBHSD17B10SIGMAR1HRH3PARP1
SCHEMBL2116420 0.86 CHRM1 (0.33) POLBSIGMAR1HRH3L3MBTL3L3MBTL1
SCHEMBL2114619 0.83 SIGMAR1 (0.33) KMT2APOLBHSD17B10SIGMAR1HRH3
SCHEMBL2114406 0.81 POLB (0.36) KMT2APOLBHSD17B10SIGMAR1HRH3
SCHEMBL2118576 0.80 HRH3 (0.38) ALPLALPIALPGKMT2APOLB
SCHEMBL2117622 0.77 HRH3 (0.38) POLBHSD17B10SIGMAR1HRH3L3MBTL3
SCHEMBL2115220 0.77 TSHR (0.39) POLBHSD17B10SIGMAR1HRH3L3MBTL3

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 ALPL 4743/4885ALPI 3085/4885ALPG 4505/4885

“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.