SCHEMBL13699001

SCHEMBL13699001

Cc1ccc2c(c1)COCCN2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.45
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
F2 P00734 2/20 0.42
HTT P42858 1/20 0.42
NOTUM Q6P988 1/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
PRKDC P78527 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SRD5A1 P18405 2/20 0.36
HPGD P15428 2/20 0.36
AVPR1A P37288 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL520105 0.82 MAPT (0.47) KCNQ2ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL23730151 0.80 SRD5A1 (0.39) KCNQ2ALDH1A1GAASMN1; SMN2HTT
SCHEMBL26700312 0.80 TDP1 (0.38) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL15143883 0.77 ACHE (0.42) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL2616784 0.76 NOTUM (0.58) ALDH1A1KDM4EGAASMN1; SMN2F2
SCHEMBL22306381 0.75 ALDH1A1 (0.39) KCNQ2ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL154510 0.74 CYP11B1 (0.52) ALDH1A1GAAHTTNOTUMMAPT
SCHEMBL18363028 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EGAASMN1; SMN2F2
SCHEMBL434992 0.73 ALDH1A1 (0.62) ALDH1A1KDM4EGAAHTTNOTUM
SCHEMBL5022145 0.72 KMT2A (0.52) ALDH1A1GAASMN1; SMN2HTTMAPT

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 KCNQ2 587/4885ALDH1A1 4542/4885KDM4E 1604/4885
US-20170008882-A1 PYRIDINES AND PYRIMIDINES AND USE THEREOF CACNA1A, P2RX3, P2RX6 KCNQ2 69/4885ALDH1A1 658/4885KDM4E 1725/4885

“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.