SCHEMBL8078377

SCHEMBL8078377

Cc1ccc2c(c1)N(CCNC(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL7673879 0.87 DRD2 (0.53) DRD2CYP11B1CYP11B2CTSLCTSS
SCHEMBL7677565 0.87 CYP1A2 (0.48) DRD2CYP11B1CYP11B2HDAC1HDAC6
SCHEMBL12598196 0.83 MTNR1A (0.53) DRD2CTSLCTSSCTSKHDAC1
SCHEMBL31129885 0.82 CYP11B1 (0.47) DRD2CYP11B1CYP11B2
SCHEMBL5212016 0.81 DRD2 (0.47) DRD2CYP11B1CYP11B2BRD4
SCHEMBL7677157 0.81 HDAC1 (0.43) CTSLCTSSCTSKHDAC1HDAC6
SCHEMBL7677151 0.81 HDAC1 (0.43) CTSLCTSSCTSKHDAC1HDAC6
SCHEMBL5212333 0.78 DRD2 (0.49) DRD2BRD4
SCHEMBL8082130 0.77 DRD2 (0.42) DRD2CYP11B1CYP11B2CCNCCDK8
SCHEMBL10564578 0.76 CYP3A4 (0.57) CTSLCTSSCTSKHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112148-A1 INDOLINE COMPOUNDS FERRER INTERNACIONAL S.A. 2011-05-12 US disclosed
WO-2009053440-A1 INDOLINE COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2009-04-30 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-20110112148-A1 INDOLINE COMPOUNDS MTNR1A, MTNR1B, TPH2 DRD2 98/4885CYP11B1 39/4885CYP11B2 26/4885

“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.