SCHEMBL799167

SCHEMBL799167

CC(C)c1ccccc1CCN(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.55
HTR2A P28223 4/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
HRH1 P35367 2/20 0.41
HTR6 P50406 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
AOC3 Q16853 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL9839884 0.83 GABRA1 (0.48) TAAR1HTR2CHTR2BGABRA1GABRB2
SCHEMBL681660 0.79 SLC6A4 (0.54) HTR2AGABRA1GABRB2
SCHEMBL4843352 0.77 ADRA2A (0.46) HTR1AHTR2CHTR2BGABRA1GABRB2
SCHEMBL3842659 0.75 TAAR1 (0.54) TAAR1HTR2AHTR2CHTR2BHRH1
SCHEMBL10687325 0.75 TAAR1 (0.59) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL6681498 0.75 GABRA1 (0.41) HTR2CHTR2BGABRA1GABRB2
SCHEMBL6055136 0.75 GABRA1 (0.48) HTR2CHTR2BGABRA1GABRB2
SCHEMBL30606846 0.75 GABRA1 (0.48) HTR2CHTR2BGABRA1GABRB2
SCHEMBL20739967 0.75 GABRA1 (0.41) HTR2CHTR2BGABRA1GABRB2
Hydrochloric Acid SCHEMBL25189937 0.73 GABRA1 (0.47) HTR2CHTR2BGABRA1GABRB2

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 TAAR1 4451/4885HTR2A 4862/4885HTR1A 4882/4885

“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.