SCHEMBL2114693

SCHEMBL2114693

Cn1ccc(-c2ccc(OCCCCl)cc2)cc1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.61
HTR3A P46098 4/20 0.43
ADORA2A P29274 2/20 0.43
ALDH2 P05091 1/20 0.43
MCHR1 Q99705 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
CYP19A1 P11511 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL2115006 0.81 HRH3 (0.68) HRH3HTR3A
SCHEMBL2115978 0.79 HRH3 (0.60) HRH3HTR3AADORA2ACYP19A1CYP3A4
SCHEMBL1373281 0.77 HTR3A (0.70) HRH3HTR3AADORA2ACYP19A1CYP3A4
SCHEMBL4064419 0.77 HTR3A (0.70) HRH3HTR3AADORA2ACYP19A1CYP3A4
SCHEMBL2118713 0.77 HRH3 (1.00) HRH3HTR3A
SCHEMBL2114436 0.77 HRH3 (1.00) HRH3HTR3A
SCHEMBL2116295 0.76 HRH3 (0.72) HRH3
SCHEMBL11096825 0.75 CYP3A4 (0.52) HRH3CYP19A1CYP3A4CYP2D6CYP1A2
SCHEMBL30770315 0.74 ALDH2 (0.50) HRH3ALDH2MCHR1PIK3CDPIK3CA
SCHEMBL15721894 0.73 L3MBTL1 (0.47) HRH3CYP19A1CYP1A2L3MBTL1

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 HRH3 1/4885HTR3A 37/4885ADORA2A 379/4885

“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.