SCHEMBL20156306

SCHEMBL20156306

COC(=O)c1ccn(CCC(C)=O)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
POLB P06746 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
THRB P10828 1/20 0.40
LMNA P02545 2/20 0.40
KDM4C Q9H3R0 1/20 0.38
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
JMJD6 Q6NYC1 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL25786633 0.83 RAB9A (0.57) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL10133288 0.81 ALDH1A1 (0.63) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL23773671 0.79 RAB9A (0.53) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL28851114 0.79 NPC1 (0.53) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL26910772 0.79 NPC1 (0.56) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL864467 0.79 KMT2A (0.59) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL17438035 0.78 KMT2A (0.52) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL27756146 0.77 KMT2A (0.58) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL24842780 0.77 KMT2A (0.51) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL10026496 0.76 KMT2A (0.64) RAB9ANPC1KMT2AMEN1POLB

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 4 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
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 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

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 RAB9A 938/4885NPC1 2104/4885KMT2A 2129/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 RAB9A 938/4885NPC1 2104/4885KMT2A 2129/4885

“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.