SCHEMBL20139419

SCHEMBL20139419

COC(=O)c1cnn(CCC2(C)OCCO2)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.33
KMT2A Q03164 3/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CACNA1H O95180 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
SCHEMBL20156304 0.78 KMT2A (0.47) KMT2APOLBTDP1MEN1NPC1
SCHEMBL20139438 0.76 KCNA5 (0.37) KCNA5KMT2APOLBTDP1MEN1
SCHEMBL5656055 0.76 KCNA5 (0.38) KCNA5KMT2APOLBTDP1MEN1
SCHEMBL23989812 0.75 KCNA5 (0.38) KCNA5KMT2APOLBTDP1MEN1
SCHEMBL31729267 0.75 KCNA5 (0.38) KCNA5KMT2APOLBTDP1MEN1
SCHEMBL20139139 0.74 MGAM (0.39) MAPK1ALDH1A1SMN1; SMN2
SCHEMBL20139123 0.74 KCNH2 (0.39) KMT2AMEN1MAPK1
SCHEMBL20156354 0.73 F2 (0.39) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL23991233 0.73 DPP4 (0.33) KCNA5KMT2APOLBTDP1MEN1
SCHEMBL25858580 0.73 KCNA5 (0.33) KCNA5KMT2APOLBTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167933-B As αVAzole amides and amines as integrin inhibitors 百时美施贵宝公司 2022-06-21 CN disclosed
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 KCNA5 681/4885KMT2A 2129/4885POLB 4152/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 KCNA5 681/4885KMT2A 2129/4885POLB 4152/4885

“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.