SCHEMBL3777872

SCHEMBL3777872

CC(C)OCCCn1ncc2ccc(I)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.40
HTR2C P28335 7/20 0.40
HTR2B P41595 5/20 0.40
KMO O15229 6/20 0.40
HTR1A P08908 2/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
HTR1D P28221 1/20 0.39
HTR7 P34969 1/20 0.39
HTR4 Q13639 1/20 0.39
REN P00797 2/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3779615 0.85 KMO (0.42) HTR2AHTR2CHTR2BKMOHTR1A
SCHEMBL3784975 0.83 CHRM2 (0.41) HTR2AHTR2CHTR2BKMOHTR1A
SCHEMBL8007547 0.77 HTR2A (0.55) HTR2AHTR2CHTR2BKMOHTR1A
SCHEMBL6741175 0.77 HTR2A (0.46) HTR2AHTR2CHTR2BKMOHTR1A
Ammonia Solution, Strong SCHEMBL8009916 0.76 HTR2A (0.45) HTR2AHTR2CHTR2BKMOHTR1A
SCHEMBL8007696 0.73 HTR2A (0.54) HTR2AHTR2CHTR2BKMOHTR1A
SCHEMBL8007544 0.73 HTR2C (0.69) HTR2AHTR2CHTR2BKMOHTR1A
SCHEMBL8009907 0.73 HTR2C (0.69) HTR2AHTR2CHTR2BKMOHTR1A
SCHEMBL78430 0.72 REN (0.50) HTR2AHTR2CHTR2BKMOHTR1A
SCHEMBL2144057 0.71 NOTUM (0.44) HTR2AHTR2CHTR2BKMO

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 HTR2A 1966/4885HTR2C 1984/4885HTR2B 1752/4885

“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.