SCHEMBL4478717

SCHEMBL4478717

Cc1cccc2c1CC(C(=O)O)NC2

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.43
GRIA2 P42262 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
Hydrochloric Acid SCHEMBL32677064 0.98 EGLN1 (0.42) EGLN1GRIA2GAAMAPTOPRM1
Hydrochloric Acid SCHEMBL32676860 0.98 EGLN1 (0.42) EGLN1GRIA2GAAMAPTOPRM1
Hydrochloric Acid SCHEMBL14061298 0.98 EGLN1 (0.42) EGLN1GRIA2GAAMAPTOPRM1
Hydrochloric Acid SCHEMBL32677144 0.98 EGLN1 (0.42) EGLN1GRIA2GAAMAPTOPRM1
SCHEMBL32676976 0.86 SCN3A (0.39) GAAMAPTOPRM1OPRD1OPRK1
SCHEMBL32676981 0.86 SCN3A (0.39) GAAMAPTOPRM1OPRD1OPRK1
SCHEMBL32676671 0.86 SCN3A (0.39) GAAMAPTOPRM1OPRD1OPRK1
SCHEMBL32677208 0.84 KDM4E (0.53) GAAMAPTOPRM1OPRD1OPRK1
SCHEMBL32676819 0.84 KDM4E (0.53) GAAMAPTOPRM1OPRD1OPRK1
SCHEMBL32677091 0.84 KDM4E (0.53) GAAMAPTOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006055951-A2 TETRAHYDROISOQUINOLINES AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-05-26 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-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample TFPI, F2, TFPI2 EGLN1 256/4885GRIA2 4417/4885GAA 3006/4885

“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.