SCHEMBL20153736

SCHEMBL20153736

CCOC(=O)/C=C/c1cnc2c(c1)OCCN2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
GRM5 P41594 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALOX5 P09917 1/20 0.42
CYP3A4 P08684 2/20 0.41
FDPS P14324 1/20 0.40
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
P2RY12 Q9H244 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
SCHEMBL2849647 0.93 TTR (0.41) TTRDPP4GRM5CA12CA1
SCHEMBL13320457 0.93 TTR (0.41) TTRDPP4GRM5CA12CA1
SCHEMBL1092097 0.83 KDM4E (0.50) GRM5NPC1RAB9AMAPTALDH1A1
SCHEMBL1092099 0.83 KDM4E (0.50) GRM5NPC1RAB9AMAPTALDH1A1
Hydrochloric Acid SCHEMBL1253690 0.82 KDM4E (0.49) GRM5NPC1RAB9AMAPTALDH1A1
Hydrochloric Acid SCHEMBL1253691 0.82 KDM4E (0.49) GRM5NPC1RAB9AMAPTALDH1A1
SCHEMBL29910996 0.81 TTR (0.46) TTRDPP4CA12CA1CA2
SCHEMBL20153781 0.81 TTR (0.46) TTRDPP4CA12CA1CA2
SCHEMBL22225994 0.78 GRM5 (0.45) GRM5NPC1RAB9AMAPTALDH1A1
SCHEMBL15249545 0.77 GRM5 (0.37) GRM5NPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 US disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS 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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 TTR 531/4885DPP4 2947/4885GRM5 1536/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 TTR 531/4885DPP4 2947/4885GRM5 1536/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV TTR 661/4885DPP4 2679/4885GRM5 1766/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 TTR 531/4885DPP4 2947/4885GRM5 1536/4885

“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.