SCHEMBL13950182

SCHEMBL13950182

Cc1ccccc1[C@@H]1C[C@H](C)N(C(C)C)C(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ KMT2A Q03164 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MEN1 O00255 3/20 0.30
▸ MAPT P10636 3/20 0.30
▸ HPGD P15428 2/20 0.30
▸ USP2 O75604 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL13950194 1.00 HTR2C (0.34) HTR2CHTR2AHTR2BTSHRHTT
SCHEMBL13950181 1.00 HTR2C (0.34) HTR2CHTR2AHTR2BTSHRHTT
SCHEMBL13970601 0.81 HTR2C (0.36) HTR2CHTR2AHTR2BTSHRTAAR1
SCHEMBL13970602 0.81 HTR2C (0.36) HTR2CHTR2AHTR2BTSHRTAAR1
SCHEMBL16181052 0.81 HTR2C (0.36) HTR2CHTR2AHTR2BTSHRTAAR1
SCHEMBL13950161 0.73 HTR2B (0.45) HTR2CHTR2BTAAR1DDB1CRBN
SCHEMBL13950179 0.71 MDM2 (0.36) —
SCHEMBL9946558 0.71 MDM2 (0.36) —
SCHEMBL13950180 0.71 MDM2 (0.36) —
SCHEMBL13394484 0.70 ALOX5 (0.38) HTR2CHTR2AHTR2BL3MBTL1TAAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 — — US disclosed
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME LLC 2009-01-15 — — US disclosed
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME LLC 2009-01-15 — — 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-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors CETP, APOB, MTTP HTR2C 4773/4885HTR2A 4517/4885HTR2B 3816/4885

“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.

Send feedback