SCHEMBL3786556

SCHEMBL3786556

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 6/20 0.45
MAPK1 P28482 2/20 0.43
REN P00797 9/20 0.41
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
HTR1A P08908 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 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
SCHEMBL5324540 0.90 MAPK1 (0.39) KMOMAPK1RENHTR2AHTR2C
SCHEMBL8223910 0.90 MAPK1 (0.39) KMOMAPK1RENHTR2AHTR2C
SCHEMBL3779730 0.84 MAPK1 (0.46) KMOMAPK1RENHTR2AHTR2C
SCHEMBL3779726 0.84 MAPK1 (0.46) KMOMAPK1RENHTR2AHTR2C
SCHEMBL8229649 0.84 REN (0.42) REN
SCHEMBL3775264 0.84 MAPK1 (0.41) KMOMAPK1RENHTR2AHTR2C
SCHEMBL3775268 0.84 MAPK1 (0.41) KMOMAPK1RENHTR2AHTR2C
SCHEMBL3779724 0.84 MAPK1 (0.44) KMOMAPK1REN
SCHEMBL3779728 0.84 MAPK1 (0.44) KMOMAPK1REN
SCHEMBL3785641 0.83 MAPK1 (0.46) KMOMAPK1REN

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-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
WO-2007120523-A2 6-(AMINOALKYL)INDAZOLES VITAE PHARMACEUTICALS, INC. (US) 2007-10-25 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-20100331287-A1 6-(Aminoalkyl)Indazoles REN, AGTR1, AGTR2 KMO 3120/4885MAPK1 762/4885REN 1/4885

“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.