SCHEMBL3779730

SCHEMBL3779730

COCCCn1ncc2ccc(CC(C(=O)O)C(C)C)cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
REN P00797 2/20 0.44
KMO O15229 8/20 0.43
PPARA Q07869 2/20 0.37
MCHR1 Q99705 1/20 0.37
PLA2G4A P47712 1/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTR1A P08908 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
PPARG P37231 1/20 0.36
HTR1D P28221 1/20 0.36
HTR7 P34969 1/20 0.36
HTR4 Q13639 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
SCHEMBL3779726 1.00 MAPK1 (0.46) MAPK1RENKMOPPARAMCHR1
SCHEMBL3786556 0.84 KMO (0.45) MAPK1RENKMOHTR2AHTR2C
SCHEMBL3775268 0.83 MAPK1 (0.41) MAPK1RENKMOMCHR1HTR2A
SCHEMBL3775264 0.83 MAPK1 (0.41) MAPK1RENKMOMCHR1HTR2A
SCHEMBL3779547 0.81 MAPK1 (0.39) MAPK1RENKMOMCHR1HTR2A
SCHEMBL3779549 0.81 MAPK1 (0.39) MAPK1RENKMOMCHR1HTR2A
SCHEMBL14144408 0.80 REN (0.47) RENKMO
SCHEMBL4249857 0.80 REN (0.47) RENKMO
SCHEMBL3779724 0.79 MAPK1 (0.44) MAPK1RENKMOMCHR1
SCHEMBL3779728 0.79 MAPK1 (0.44) MAPK1RENKMOMCHR1

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-8084485-B2 6-(aminoalkyl)indazoles VITAE PHARMACEUTICALS, INC. (US) 2011-12-27 US disclosed
US-20100331287-A1 6-(Aminoalkyl)Indazoles VITAE PHARMACEUTICALS, INC. 2010-12-30 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-20100331287-A1 6-(Aminoalkyl)Indazoles REN, AGTR1, AGTR2 MAPK1 762/4885REN 1/4885KMO 3120/4885

“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.