SCHEMBL4290509

SCHEMBL4290509

Cc1cccc(O[C@H]2CCCN(C(=O)c3cccc(N4CCCN(C)CC4)n3)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.43
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ACACB O00763 4/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
HSD17B14 Q9BPX1 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL4290515 1.00 PRKCQ (0.43) PRKCQHCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4306226 0.97 HCRTR1 (0.45) PRKCQHCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4306219 0.97 HCRTR1 (0.45) PRKCQHCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4299601 0.96 PRKCQ (0.44) PRKCQHCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL7890738 0.96 PRKCQ (0.44) PRKCQHCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4299606 0.96 PRKCQ (0.44) PRKCQHCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4295131 0.90 SCN9A (0.43) PRKCQHCRTR1HCRTR2ACACBPIM1
SCHEMBL4295125 0.90 SCN9A (0.43) PRKCQHCRTR1HCRTR2ACACBPIM1
SCHEMBL4293252 0.90 HRH3 (0.51) PRKCQHCRTR1HCRTR2ACACBPIM1
SCHEMBL4293254 0.90 HRH3 (0.51) PRKCQHCRTR1HCRTR2ACACBPIM1

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-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 US disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 US disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 US 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-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders HTR6, HTR5A, TPH1 PRKCQ 2560/4885HCRTR1 106/4885HCRTR2 203/4885

“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.