SCHEMBL13698998

SCHEMBL13698998

Cc1ccc2c(c1)OCCCN2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NOTUM Q6P988 1/20 0.41
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
PIK3CA P42336 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
TSHR P16473 1/20 0.36
PIK3CD O00329 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL154510 0.89 CYP11B1 (0.52) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL11442963 0.81 ALDH1A1 (0.37) ALDH1A1MAPTGAAHSD17B10HTT
SCHEMBL2616330 0.81 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1GAANOTUM
SCHEMBL28570739 0.81 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL11431097 0.79 ALDH1A1 (0.59) ALDH1A1MAPTGAAHSD17B10HTT
SCHEMBL31371786 0.79 DRD2 (0.45) CYP11B1CYP11B2NOTUMPIK3CBPIK3CG
SCHEMBL13591314 0.78 NISCH (0.42) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL5022145 0.77 KMT2A (0.52) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL9228795 0.77 NOTUM (0.49) CYP11B1CYP11B2NOTUMHTTKMT2A
SCHEMBL28501007 0.76 MAPT (0.45) ALDH1A1MAPTGAAHSD17B10NOTUM

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
EP-3097078-B1 PYRIDINES AND PYRIMIDINES AND USE THEREOF PURDUE PHARMA LP (US) 2022-05-25 EP disclosed
US-20170008882-A1 PYRIDINES AND PYRIMIDINES AND USE THEREOF PURDUE PHARMA L.P. 2017-01-12 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R CYP11B1 572/4885CYP11B2 535/4885ALDH1A1 4542/4885
US-20170008882-A1 PYRIDINES AND PYRIMIDINES AND USE THEREOF CACNA1A, P2RX3, P2RX6 CYP11B1 3029/4885CYP11B2 2752/4885ALDH1A1 658/4885

“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.