SCHEMBL20009340

SCHEMBL20009340

CC(C)c1cc2ccccc2c(N2CCNCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.55
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
PKN2 Q16513 1/20 0.49
HTR6 P50406 5/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46
TSHR P16473 3/20 0.46
CYP3A4 P08684 2/20 0.46
CLK4 Q9HAZ1 1/20 0.46
NCF1 P14598 3/20 0.45
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
HTR3A P46098 2/20 0.45
HTR5A P47898 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
HTR1A P08908 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL6092156 0.81 HTR2C (0.59) HTR2CROCK2ROCK1PKN2HTR6
Hydrochloric Acid SCHEMBL6101642 0.79 HTR2C (0.57) HTR2CROCK2ROCK1PKN2HTR6
Ethane SCHEMBL4794093 0.78 HTR2C (0.56) HTR2CROCK2ROCK1PKN2HTR6
SCHEMBL1486973 0.78 HTR2C (0.59) HTR2CROCK2ROCK1PKN2HTR6
SCHEMBL4073983 0.78 HTR2C (0.59) HTR2CROCK2ROCK1PKN2HTR6
SCHEMBL12215244 0.78 HTR2C (0.59) HTR2CROCK2ROCK1PKN2HTR6
Hydrochloric Acid SCHEMBL3684027 0.77 HTR2C (0.57) HTR2CROCK2ROCK1PKN2HTR6
SCHEMBL30744781 0.73 HTR2C (0.54) HTR2CROCK2ROCK1PKN2HTR6
SCHEMBL16019529 0.72 HTR3E (0.58) HTR2CHTR6CYP1A2CYP2D6TSHR
SCHEMBL11286181 0.72 HTR2C (0.52) HTR2CROCK2ROCK1PKN2HTR6

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-20180086719-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20180086719-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 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-20180086719-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PI4KA HTR2C 1992/4885ROCK2 373/4885ROCK1 315/4885

“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.