SCHEMBL2590967

SCHEMBL2590967

CCOCn1ccc2c(C(=O)NC3CC3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.45
ALDH1A1 P00352 4/20 0.43
CNR1 P21554 3/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 1/20 0.42
P2RX7 Q99572 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPY5R Q15761 1/20 0.41
DRD4 P21917 3/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2593643 0.80 NR4A2 (0.53) CNR1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL2586397 0.80 MCL1 (0.41) CNR2ALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL30808103 0.71 HTR2C (0.55) KDM4E
SCHEMBL28800286 0.70 HTR2C (0.40) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL2589087 0.69 CRHR1 (0.39) CNR2ALDH1A1CNR1KDM4EHSD17B10
SCHEMBL7494500 0.68 NR4A2 (0.51) CNR2CNR1L3MBTL1TSHR
SCHEMBL3142772 0.68 CNR1 (0.48) CNR2ALDH1A1CNR1P2RX7
SCHEMBL25219444 0.68 RAB9A (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL10598552 0.67 CNR2 (0.63) CNR2ALDH1A1CNR1
SCHEMBL3139209 0.67 NR4A2 (0.49) CNR2ALDH1A1CNR1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563774-B1 PYRIMIDINYL INDOLE COMPOUNDS HUTCHISON MEDIPHARMA LTD (CN) 2014-03-12 EP disclosed
US-8501166-B2 Pyrimidinyl indole compounds HUTCHISON MEDIPHARMA LIMITED (CN) 2013-08-06 US disclosed
US-20130058892-A1 PYRIMIDINYL INDOLE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2013-03-07 US disclosed
EP-2563774-A1 PYRIMIDINYL INDOLE COMPOUNDS Hutchison Medipharma Limited (CN) 2013-03-06 EP disclosed
WO-2011134140-A1 PYRIMIDINYL INDOLE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-03 WO 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 (1 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-20130058892-A1 PYRIMIDINYL INDOLE COMPOUNDS NFKBIA, JAK2, IRF3 CNR2 999/4885ALDH1A1 1943/4885CNR1 1172/4885

“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.