SCHEMBL6983268

SCHEMBL6983268

CC(C)(C)OC(=O)N1CCC(C2CCN(C(N)=O)CC2)CC1.O=C(O)CN(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.49
PTPRB P23467 1/20 0.47
PTPN11 Q06124 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
STS P08842 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
YAP1 P46937 1/20 0.41

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
SCHEMBL6983158 0.88 CHRM1 (0.47) SMN1; SMN2CYP2C19NPC1RAB9ACHRM2
SCHEMBL6378254 0.85 PTPRB (0.53) GPR119PTPRBPTPN11JAK2JAK1
SCHEMBL6190064 0.84 GPR119 (0.48) GPR119PTPRBPTPN11SMN1; SMN2NPC1
SCHEMBL4842101 0.81 MEN1 (0.46) GPR119PTPRBPTPN11SMN1; SMN2NPC1
SCHEMBL5868120 0.81 KMT2A (0.52) GPR119PTPRBPTPN11SMN1; SMN2NPC1
SCHEMBL5867867 0.80 KDM4E (0.57) GPR119PTPRBPTPN11SMN1; SMN2NPC1
SCHEMBL13954406 0.80 GPR119 (0.67) GPR119JAK2JAK1SMN1; SMN2CYP2C19
SCHEMBL5868106 0.79 KDM4E (0.49) GPR119PTPRBPTPN11SMN1; SMN2NPC1
SCHEMBL16094894 0.79 JAK2 (0.49) GPR119JAK2JAK1SMN1; SMN2CYP2C19
SCHEMBL4838599 0.79 KDM4E (0.44) GPR119PTPRBPTPN11JAK2JAK1

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-1012166-B1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2003-10-29 EP disclosed
US-6420438-B1 FOR THERAPY OF THROMBOTIC DISEASE, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY TULARIK LIMITED (GB) 2002-07-16 US disclosed
US-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-04-04 US disclosed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 US disclosed
EP-1012166-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-28 EP disclosed
WO-1999011657-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 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 (1 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-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors CTRL, HPN, CTSL GPR119 4529/4885PTPRB 3306/4885PTPN11 1159/4885

“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.