SCHEMBL69968

SCHEMBL69968

CC1Nc2ccc(C(C)C)cc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.33
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
EIF4A3 P38919 1/20 0.32
ALOX12 P18054 1/20 0.32
HIF1A Q16665 1/20 0.32
BRD4 O60885 3/20 0.31
CREBBP Q92793 3/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 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
SCHEMBL70925 0.86 GAA (0.34) KIF11HPGDGAASMN1; SMN2LMNA
SCHEMBL7922402 0.76 CREBBP (0.39) KIF11HPGDGAASMN1; SMN2ALDH1A1
SCHEMBL19751469 0.75 LTB4R (0.39) KIF11HPGDGAASMN1; SMN2LMNA
SCHEMBL19751549 0.75 BRD4 (0.36) KIF11HPGDGAASMN1; SMN2LMNA
SCHEMBL21707063 0.74 P2RY6 (0.33) BRD4CREBBP
SCHEMBL20708104 0.74 PGR (0.40) KIF11HPGDGAAALDH1A1KDM4E
SCHEMBL20169629 0.73 LTB4R (0.34) KIF11TRPA1PTGS1CACNA1CLTB4R
SCHEMBL23775721 0.70 HPGD (0.33) KIF11HPGDGAASMN1; SMN2LMNA
SCHEMBL14016592 0.69 LMNA (0.38) KIF11HPGDGAASMN1; SMN2LMNA
SCHEMBL70919 0.69 CYP1A2 (0.41) KIF11GAASMN1; SMN2LMNATRPA1

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 KIF11 3255/4885HPGD 3049/4885GAA 4463/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KIF11 3255/4885HPGD 3049/4885GAA 4463/4885

“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.