SCHEMBL70230

SCHEMBL70230

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.43
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 1/20 0.40
SRC P12931 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
F2 P00734 1/20 0.39

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
SCHEMBL12861460 1.00 DPP4 (0.45) DPP4ALDH1A1LMNACCNA2CDK2
SCHEMBL28114158 0.82 ACACB (0.33) DPP4
SCHEMBL9721500 0.79 THRB (0.53) ALDH1A1LMNARECQLTDP1CYP2D6
SCHEMBL7419987 0.79 SMN1; SMN2 (0.42) ALDH1A1CYP2D6CYP3A4TSHRHSD17B10
SCHEMBL19707707 0.78 LMNA (0.56) ALDH1A1LMNARECQLTDP1CYP2D6
SCHEMBL12861930 0.76 FAAH (0.57) ALDH1A1LMNACCNA2CDK2CCNA1
SCHEMBL8007655 0.76 SRC (0.61) ALDH1A1LMNARECQLCYP2D6SRC
SCHEMBL241642 0.76 CES2 (0.57) ALDH1A1LMNARECQLCYP2D6SRC
SCHEMBL27735697 0.76 ALDH1A1 (0.44) ALDH1A1LMNACCNA2CDK2CCNA1
SCHEMBL70407 0.76 FAAH (0.57) ALDH1A1LMNACCNA2CDK2CCNA1

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 9 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-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-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-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
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 US disclosed
EP-2280000-A1 COMPOUND HAVING NPY Y5 RECEPTOR ANTAGONIST ACTIVITY Shionogi&Co., Ltd. (JP) 2011-02-02 EP 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 DPP4 927/4885ALDH1A1 4801/4885LMNA 3493/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R DPP4 927/4885ALDH1A1 4801/4885LMNA 3493/4885

“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.