SCHEMBL90936

SCHEMBL90936

Cc1cccc2c1OOC2C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA1A P35348 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
HTR2C P28335 6/20 0.33
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
MAP3K14 Q99558 1/20 0.31
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL14416706 0.78 BRD4 (0.39) ADRA2AADRA2BADRA1AALDH1A1MEN1
Fluorobenzene SCHEMBL8555306 0.68 PGR (0.35) ALDH1A1MEN1KMT2ABRD4CREBBP
SCHEMBL6678434 0.67 MAOA (0.38) MEN1KMT2ATSHR
SCHEMBL16509662 0.67 ADRA2A (0.51) ADRA2AADRA2BADRA1AALDH1A1MEN1
SCHEMBL11981386 0.67 ADRA2A (0.51) ADRA2AADRA2BADRA1AALDH1A1MEN1
SCHEMBL14934302 0.67 BRD4 (0.37) ADRA2AADRA2BADRA1AALDH1A1MEN1
SCHEMBL20314790 0.65 MEN1 (0.44) ADRA2AADRA2BADRA1AALDH1A1MEN1
SCHEMBL20314793 0.65 MEN1 (0.44) ADRA2AADRA2BADRA1AALDH1A1MEN1
SCHEMBL20314792 0.65 MEN1 (0.44) ADRA2AADRA2BADRA1AALDH1A1MEN1
SCHEMBL13805574 0.64 BRD4 (0.35) ADRA2AADRA2BADRA1AALDH1A1MEN1

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
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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 (2 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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ADRA2A 213/4885ADRA2B 155/4885ADRA1A 267/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ADRA2A 213/4885ADRA2B 155/4885ADRA1A 267/4885

“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.