SCHEMBL3020437

SCHEMBL3020437

CC(C)(C)N(CC1CCCc2cc(N)ccc21)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.43
KDM4C Q9H3R0 4/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
FFAR1 O14842 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
SCHEMBL3025404 0.78 KDM4C (0.40) KDM4C
SCHEMBL3665960 0.78 OPRD1 (0.37) KDM4C
SCHEMBL1415498 0.72 HTR6 (0.51) HTR6
SCHEMBL1415344 0.72 HTR6 (0.56) HTR6ESR1ESR2
SCHEMBL17258086 0.69 BRD4 (0.43) HTR6
Hydrochloric Acid SCHEMBL9523688 0.68 BRD4 (0.43) HTR6
SCHEMBL6670411 0.68 FFAR1 (0.60) FFAR1
SCHEMBL7796027 0.68 SIGMAR1 (0.46)
SCHEMBL13213531 0.68 HTR6 (0.41) HTR6ESR1ESR2
SCHEMBL10752692 0.67 BRD4 (0.42) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH HTR6 3665/4885KDM4C 3322/4885ESR1 2362/4885

“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.