SCHEMBL20157741

SCHEMBL20157741

CCOC(=O)C[C@H](N)c1cnc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
RAB9A P51151 4/20 0.43
MEN1 O00255 1/20 0.42
PRNP P04156 1/20 0.42
PDE4D Q08499 1/20 0.42
NOTUM Q6P988 1/20 0.42
HSD17B10 Q99714 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 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
SCHEMBL6421146 1.00 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL29511481 1.00 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL7980837 0.99 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL6421139 0.99 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL13344628 0.88 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL5041314 0.88 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL6506600 0.87 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL2631568 0.84 CYP1A2 (0.49) KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL7451890 0.84 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL6421613 0.84 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-05 US disclosed
EP-3707142-B1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-12-08 EP disclosed
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2021-06-03 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-3538528-B1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-23 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 (5 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 KDM4E 2185/4885SMN1; SMN2 2576/4885ALDH1A1 981/4885
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGB5 KDM4E 1755/4885SMN1; SMN2 3970/4885ALDH1A1 744/4885
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors ITGB1, ITGAV, ITGA1 KDM4E 1937/4885SMN1; SMN2 3967/4885ALDH1A1 364/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 KDM4E 2185/4885SMN1; SMN2 2790/4885ALDH1A1 1029/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 KDM4E 2291/4885SMN1; SMN2 2636/4885ALDH1A1 1202/4885

“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.