SCHEMBL13438716

SCHEMBL13438716

N[C@H]1CC[C@H](CNc2cccc(O)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.42
KMT2A Q03164 1/20 0.40
CRHR1 P34998 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HTR7 P34969 2/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
MLLT1 Q03111 1/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
VCP P55072 1/20 0.36

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
SCHEMBL11934845 1.00 PRKCQ (0.42) PRKCQKMT2ACRHR1CYP3A4TSHR
SCHEMBL11934757 0.84 PRKCQ (0.43) PRKCQKMT2ACRHR1CYP3A4POLB
SCHEMBL13438643 0.84 PRKCQ (0.43) PRKCQKMT2ACRHR1CYP3A4POLB
SCHEMBL13438917 0.81 CRHR1 (0.47) PRKCQKMT2ACRHR1ALDH1A1VCP
SCHEMBL11935235 0.81 CRHR1 (0.47) PRKCQKMT2ACRHR1ALDH1A1VCP
SCHEMBL13439105 0.81 POLB (0.54) PRKCQCRHR1POLBALDH1A1VCP
SCHEMBL13462869 0.81 PRKCQ (0.42) PRKCQCRHR1POLB
SCHEMBL13439216 0.81 PRKCQ (0.42) PRKCQCRHR1POLB
SCHEMBL11935118 0.81 POLB (0.54) PRKCQCRHR1POLBALDH1A1VCP
SCHEMBL1846502 0.80 CARM1 (0.50) PRKCQCRHR1ALDH1A1

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-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R PRKCQ 3402/4885KMT2A 2031/4885CRHR1 21/4885

“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.