SCHEMBL20141420

SCHEMBL20141420

CC(C)(C)OC(=O)N1CC2(CC(/C=C/c3ccc4c(n3)NCCC4)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 11/20 0.39
ITGB6 P18564 7/20 0.39
ITGB3 P05106 5/20 0.36
EHMT2 Q96KQ7 1/20 0.36
KRAS P01116 1/20 0.36
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ITGB5 P18084 2/20 0.34
MAPK1 P28482 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
NAMPT P43490 2/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL20141421 1.00 ITGAV (0.39) ITGAVITGB6ITGB3EHMT2KRAS
SCHEMBL28744430 0.88 ITGAV (0.42) ITGAVITGB6ITGB3NPC1RAB9A
SCHEMBL29702251 0.88 ITGAV (0.42) ITGAVITGB6ITGB3NPC1RAB9A
SCHEMBL20158198 0.88 ITGAV (0.42) ITGAVITGB6ITGB3NPC1RAB9A
SCHEMBL21317498 0.86 ITGAV (0.47) ITGAVITGB6NPC1RAB9AMAPK1
SCHEMBL20141427 0.82 ITGAV (0.39) ITGAVITGB6KRASNPC1RAB9A
SCHEMBL20141327 0.80 ITGAV (0.48) ITGAVITGB6ITGB3ITGB5
SCHEMBL20142062 0.78 ITGAV (0.56) ITGAVITGB6ITGB3ITGB5
SCHEMBL29702321 0.77 POLB (0.38) EHMT2KRASOXTRAVPR1ANAMPT
SCHEMBL26462028 0.77 POLB (0.38) EHMT2KRASOXTRAVPR1ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538526-B1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-04-10 EP disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 US disclosed
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-25 US disclosed
EP-3538526-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-05 US disclosed
WO-2018089355-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS 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-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ITGAV 2/4885ITGB6 14/4885ITGB3 8/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ITGAV 2/4885ITGB6 15/4885ITGB3 7/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGAV 4/4885ITGB6 12/4885ITGB3 6/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGAV 4/4885ITGB6 11/4885ITGB3 7/4885

“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.