SCHEMBL4222638

SCHEMBL4222638

C#CCCc1ccccc1I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.54
MITF O75030 1/20 0.51
IDO1 P14902 2/20 0.42
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR7 P34969 2/20 0.33
HTR6 P50406 2/20 0.33
KDM1A O60341 1/20 0.32
CYP3A4 P08684 3/20 0.32
PYCR1 P32322 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31

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
SCHEMBL7590925 0.78 TAAR1 (0.54) TAAR1MITFIDO1CYP1A2CYP2D6
SCHEMBL27997934 0.78 TAAR1 (0.71) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL237082 0.74 TAAR1 (0.54) TAAR1MITFPYCR1ALDH1A1
SCHEMBL9018624 0.74 MITF (0.47) TAAR1MITFCYP3A4PYCR1ALDH1A1
SCHEMBL9642112 0.72 TAAR1 (0.62) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL29661804 0.72 TAAR1 (0.62) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL11010381 0.72 TAAR1 (0.62) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL28097582 0.71 CYP1A2 (0.48) MITFCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27627209 0.71 DPP4 (0.50) MITFHTR7ALDH1A1HSD17B10
SCHEMBL3055393 0.70 TAAR1 (1.00) TAAR1IDO1CYP1A2CYP2D6HTR2A

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-20090105278-A1 Selective inhibitors of human corticosteroid syntheses UNIVERSITAT DES SAARLANDES (DE) 2009-04-23 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-20090105278-A1 Selective inhibitors of human corticosteroid syntheses HSD11B1, HSD11B2, CYP11B1 TAAR1 3434/4885MITF 1942/4885IDO1 1806/4885

“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.