SCHEMBL70407

SCHEMBL70407

C[C@@H](C(=O)C1CC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.57
RECQL P46063 1/20 0.49
GRM7 Q14831 2/20 0.47
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 2/20 0.43
EPHX1 P07099 2/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
CCR5 P51681 1/20 0.41

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
SCHEMBL12861930 1.00 FAAH (0.57) FAAHRECQLGRM7PTGS2ALDH1A1
SCHEMBL2439080 0.91 FAAH (0.57) FAAHRECQLGRM7LMNAEPHX1
SCHEMBL27559716 0.81 GAA (0.51) KMT2AHPGD
SCHEMBL9721500 0.79 THRB (0.53) RECQLALDH1A1LMNAKMT2A
SCHEMBL19707707 0.78 LMNA (0.56) RECQLALDH1A1LMNAHPGD
SCHEMBL9666479 0.77 ITK (0.43) ALDH1A1RAB9A
SCHEMBL3761182 0.76 ALDH1A1 (0.44) RECQLALDH1A1LMNAKMT2A
SCHEMBL241642 0.76 CES2 (0.57) FAAHRECQLALDH1A1LMNAKMT2A
SCHEMBL8007655 0.76 SRC (0.61) RECQLALDH1A1LMNAKMT2A
SCHEMBL12861460 0.76 DPP4 (0.45) RECQLALDH1A1LMNACYP3A4CCNA2

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 FAAH 613/4885RECQL 4808/4885GRM7 322/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R FAAH 613/4885RECQL 4808/4885GRM7 322/4885

“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.