SCHEMBL6299555

SCHEMBL6299555

OC(Cc1ncc[nH]1)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TAAR1 Q96RJ0 6/20 0.50
F2RL1 P55085 3/20 0.44
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
AOC3 Q16853 1/20 0.42
NFKB1 P19838 1/20 0.41
HIF1A Q16665 1/20 0.41
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL3526784 0.86 TAAR1 (0.49) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7518159 0.82 ADRA2C (0.46) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6572921 0.82 ADRA2C (0.46) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11299695 0.82 TAAR1 (0.50) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3530042 0.81 TAAR1 (0.50) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3530217 0.80 TAAR1 (0.39) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11566236 0.79 ADRA2A (0.54) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6299922 0.78 TAAR1 (0.51) CYP2D6L3MBTL1TAAR1BLMKMT2A
SCHEMBL6299755 0.78 TAAR1 (0.51) CYP2D6L3MBTL1TAAR1BLMKMT2A
SCHEMBL11289039 0.77 TAAR1 (0.51) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19

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-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 CYP2D6 1171/4885CYP1A2 893/4885CYP3A4 923/4885

“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.