SCHEMBL6299755

SCHEMBL6299755

O[C@H](Cc1ncc[nH]1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.51
CYP2D6 P10635 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6299922 1.00 TAAR1 (0.51) TAAR1CYP2D6TSHRLMNASMN1; SMN2
SCHEMBL11289983 0.82 TAAR1 (0.44) TAAR1SMN1; SMN2L3MBTL1
SCHEMBL11433713 0.82 ADRA2A (0.49) TAAR1CYP2D6TSHRMEN1KMT2A
SCHEMBL2475493 0.79 GRIN2D (0.53) TAAR1CYP2D6TSHRLMNASMN1; SMN2
SCHEMBL3773150 0.79 TAAR1 (0.53) TAAR1CYP2D6TSHRLMNASMN1; SMN2
SCHEMBL11299695 0.78 TAAR1 (0.50) TAAR1CYP2D6TSHRSMN1; SMN2GAA
SCHEMBL6299555 0.78 CYP2D6 (0.58) TAAR1CYP2D6BLMKMT2AL3MBTL1
SCHEMBL11296792 0.76 TAAR1 (0.42) TAAR1SMN1; SMN2GAAKDM4EMEN1
SCHEMBL8488446 0.76 TAAR1 (0.37) TAAR1CYP2D6L3MBTL1
SCHEMBL3526359 0.76 TAAR1 (0.41) TAAR1

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 4 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
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 WO 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 TAAR1 1568/4885CYP2D6 1171/4885TSHR 1329/4885

“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.