SCHEMBL2115978

SCHEMBL2115978

Cn1cc(-c2ccc(OCCCCl)cc2)ccc1=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.60
BRD4 O60885 2/20 0.47
ADORA2A P29274 2/20 0.44
CREBBP Q92793 2/20 0.42
HTR3A P46098 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2114528 0.80 HRH3 (0.71) HRH3HTR3A
SCHEMBL2114693 0.79 HRH3 (0.61) HRH3ADORA2AHTR3ACYP3A4CYP2D6
SCHEMBL11096825 0.77 CYP3A4 (0.52) HRH3CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL1372914 0.75 HRH3 (0.69) HRH3CYP19A1
SCHEMBL2113936 0.75 HRH3 (0.73) HRH3
SCHEMBL4064419 0.74 HTR3A (0.70) HRH3ADORA2AHTR3ACYP3A4CYP2D6
SCHEMBL1373281 0.74 HTR3A (0.70) HRH3ADORA2AHTR3ACYP3A4CYP2D6
SCHEMBL31698269 0.73 HRH3 (0.45) HRH3BRD4CYP3A4
SCHEMBL4098362 0.72 DRD2 (0.55) CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9
SCHEMBL11093336 0.71 KCNA3 (0.52) HRH3CYP2D6

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 1/4885BRD4 492/4885ADORA2A 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.