SCHEMBL20139084

SCHEMBL20139084

CCOC(=O)c1cnn(CCC2(C)OCCO2)c1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.43
NPC1 O15118 3/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4B Q07343 4/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 4/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL20156041 0.82 CYP3A4 (0.39) KMT2ASMN1; SMN2LMNANPC1CYP3A4
SCHEMBL3509334 0.78 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2LMNANPC1CYP3A4
SCHEMBL21272326 0.78 PDE4D (0.42) KMT2ASMN1; SMN2LMNACYP3A4CYP2C19
SCHEMBL21272486 0.77 L3MBTL1 (0.42) KMT2ASMN1; SMN2LMNANPC1CYP3A4
SCHEMBL20139402 0.77 TEAD2 (0.38) KMT2ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL13462878 0.76 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2LMNANPC1CYP2C19
SCHEMBL3510101 0.76 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2LMNANPC1CYP3A4
SCHEMBL9312267 0.76 KMT2A (0.52) KMT2ASMN1; SMN2LMNANPC1CYP3A4
SCHEMBL6664950 0.75 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2LMNANPC1CYP3A4
SCHEMBL20797210 0.74 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2LMNANPC1CYP3A4

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
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
EP-3538527-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES 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 (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-10851098-B2 Azole amides and amines as alpha v integrin inhibitors ITGAV, ITGB1, ITGA1 KMT2A 2129/4885SMN1; SMN2 3383/4885LMNA 2428/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 KMT2A 2129/4885SMN1; SMN2 3383/4885LMNA 2428/4885

“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.