SCHEMBL12870922

SCHEMBL12870922

C/C(=C\c1ccc2nc(C3(NC(C)C)CCC3)n(C)c2c1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2C8 P10632 1/20 0.35
HDAC1 Q13547 1/20 0.33
TBXAS1 P24557 4/20 0.32
AKR1C3 P42330 1/20 0.32
MPL P40238 1/20 0.32
ACACB O00763 3/20 0.31

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
SCHEMBL12870961 0.92 HDAC1 (0.36) HDAC1TBXAS1AKR1C3ACACB
SCHEMBL12871092 0.89 CYP1A2 (0.35) CYP1A2CYP2C8HDAC1
SCHEMBL12871035 0.85 HCRTR1 (0.35)
SCHEMBL12871004 0.82 HCRTR1 (0.36)
SCHEMBL12871067 0.81 AKR1C3 (0.33) TBXAS1AKR1C3
SCHEMBL12871096 0.81 HDAC1 (0.35) HDAC1
SCHEMBL12870909 0.81 IP6K1 (0.41) CYP1A2CYP2C8HDAC1
SCHEMBL12870947 0.76 HDAC1 (0.46) HDAC1
SCHEMBL14532893 0.76 HDAC1 (0.32) CYP1A2CYP2C8HDAC1AKR1C3MPL
SCHEMBL6448113 0.74 CYP1A2 (0.42) CYP1A2CYP2C8HDAC1AKR1C3

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-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US 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-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A CYP1A2 973/4885CYP2C8 2673/4885HDAC1 754/4885

“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.