SCHEMBL10199369

SCHEMBL10199369

CC(C)c1ccc2c(c1)CC(C(C)C)CN2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HPGD P15428 2/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TRPA1 O75762 1/20 0.30
PTGS1 P23219 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
SCHEMBL10262105 0.82 CHRNB2 (0.46) CHRNB2CHRNA4HPGDGFERHSD17B10
SCHEMBL22971496 0.81 CHRNB2 (0.44) CHRNB2CHRNA4HPGDGFERHSD17B10
SCHEMBL29332740 0.76 MTNR1A (0.44) HSD17B10MAPT
SCHEMBL881106 0.76 MTNR1A (0.44) HSD17B10MAPT
SCHEMBL12610368 0.76 MTNR1A (0.44) HSD17B10MAPT
SCHEMBL13920370 0.73 CHRNB2 (0.40) CHRNB2CHRNA4HPGDGFERHSD17B10
SCHEMBL27010622 0.72 ROCK2 (0.34) CHRNB2CHRNA4
SCHEMBL27419152 0.72 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL1615697 0.70 DRD2 (0.53) CHRNB2CHRNA4HPGDGFERHSD17B10
SCHEMBL23436282 0.70 CHRNB2 (0.40) CHRNB2CHRNA4HPGDGFERHSD17B10

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
US-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING SHIONOGI & CO., LTD. (JP) 2024-07-04 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING GLP1R, GIPR, GCGR CHRNB2 718/4885CHRNA4 822/4885HPGD 4484/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 CHRNB2 4319/4885CHRNA4 4331/4885HPGD 3143/4885

“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.