SCHEMBL20153763

SCHEMBL20153763

CC1CCc2ccc(CCO)nc2N1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.54
ITGAV P06756 10/20 0.32
ITGB3 P05106 8/20 0.32
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
ITGB6 P18564 3/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
ITGB5 P18084 1/20 0.30
CXCR4 P61073 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
SCHEMBL8343868 0.83 PDE10A (0.50) PDE10AITGAVITGB3ITGB6ITGB5
SCHEMBL7556092 0.83 PDE10A (0.52) PDE10AITGAVITGB3ITGB6ITGB5
SCHEMBL19393940 0.73 ITGAV (0.46) PDE10AITGAVITGB3ITGB6
SCHEMBL21767449 0.73 PDE10A (0.44) PDE10AITGAVITGB6
SCHEMBL21767452 0.73 PDE10A (0.44) PDE10AITGAVITGB6
SCHEMBL21767388 0.73 PDE10A (0.42) PDE10AHTR2AHTR2CHTR2B
SCHEMBL21767380 0.73 PDE10A (0.42) PDE10AHTR2AHTR2CHTR2B
SCHEMBL31072001 0.73 PDE10A (0.42) PDE10AHTR2AHTR2CHTR2B
SCHEMBL21767378 0.73 PDE10A (0.42) PDE10AHTR2AHTR2CHTR2B
SCHEMBL21856498 0.71 PDE10A (0.42) PDE10AITGAVITGB3ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 US disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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 (4 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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 PDE10A 3145/4885ITGAV 1/4885ITGB3 3/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 PDE10A 3145/4885ITGAV 1/4885ITGB3 3/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV PDE10A 3417/4885ITGAV 3/4885ITGB3 1/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 PDE10A 3145/4885ITGAV 1/4885ITGB3 3/4885

“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.