SCHEMBL4229828

SCHEMBL4229828

O=C(O)[C@@H]1CN(c2ccc(=O)[nH]n2)C[C@H]1c1ccc(Cl)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.34
SMO Q99835 1/20 0.34
EPHX2 P34913 1/20 0.33
DPP4 P27487 1/20 0.33
GRM4 Q14833 1/20 0.32
DRD2 P14416 2/20 0.32
HTR1A P08908 1/20 0.32
DRD4 P21917 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR7 P34969 1/20 0.32
DRD3 P35462 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL733745 0.88 HRH3 (0.35) HRH3SMOEPHX2GRM4
SCHEMBL2309105 0.84 CYP1A2 (0.46) HRH3EPHX2CYP1A2CYP3A4CYP2D6
SCHEMBL733540 0.81 MC4R (0.49)
SCHEMBL733541 0.81 MC4R (0.49)
SCHEMBL4242136 0.81 LMNA (0.47) GRM4CYP1A2
SCHEMBL733977 0.81 MC4R (0.44)
SCHEMBL733976 0.81 MC4R (0.44)
SCHEMBL733502 0.80 HRH3 (0.35) HRH3GRM4DRD2HTR1ADRD4
SCHEMBL3262449 0.80 HRH3 (0.35) HRH3GRM4DRD2HTR1ADRD4
SCHEMBL13493179 0.79 MDM2 (0.37) DPP4GRM4DRD2HTR1ADRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989196-B1 PIPERIDINOYLPYRROLIDINES AS MELANOCORTIN TYPE 4 RECEPTOR AGONISTS PFIZER LTD (GB) 2013-02-13 EP disclosed
US-20090036459-A1 Melanocortin Type 4 Receptor Agonist Piperidinoylpyrrolidines PFIZER INC 2009-02-05 US disclosed
EP-1989196-A2 MELANOCORTIN TYPE 4 RECEPTOR AGONIST PIPERIDINOYLPYRROLIDINES Pfizer Limited (GB) 2008-11-12 EP disclosed
WO-2007096763-A2 MELANOCORTIN TYPE 4 RECEPTOR AGONIST PIPERIDINOYLPYRROLIDINES PFIZER LIMITED (GB) 2007-08-30 WO 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-20090036459-A1 Melanocortin Type 4 Receptor Agonist Piperidinoylpyrrolidines MC4R, MC5R, MC3R HRH3 642/4885SMO 1194/4885EPHX2 4261/4885

“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.