SCHEMBL3284070

SCHEMBL3284070

CC(=O)NC(C)(C)Cc1c[nH]c2cc(C)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.49
▸ MTNR1A P48039 2/20 0.48
▸ MTNR1B P49286 2/20 0.48
▸ NR4A2 P43354 1/20 0.47
▸ NR3C1 P04150 2/20 0.42
▸ NR3C2 P08235 1/20 0.42
▸ PCSK9 Q8NBP7 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL4492495 0.86 GPR84 (0.52) HTR2AMTNR1AMTNR1BNR4A2NR3C1
SCHEMBL18923871 0.78 HTR2A (0.61) HTR2AMTNR1AMTNR1BNR4A2NR3C1
SCHEMBL4500910 0.78 MTNR1A (0.62) HTR2AMTNR1AMTNR1BNR4A2MEN1
SCHEMBL3284144 0.78 MTNR1A (0.59) HTR2AMTNR1AMTNR1BNR4A2NR3C1
SCHEMBL27428545 0.76 HTR2A (0.49) HTR2AMTNR1AMTNR1BNR4A2NR3C1
SCHEMBL25139531 0.76 HTR2A (0.58) HTR2AMTNR1AMTNR1BNR4A2NR3C1
SCHEMBL3281452 0.76 HTR2A (0.62) HTR2ANR4A2NR3C1NR3C2PCSK9
SCHEMBL24460220 0.76 MTNR1A (0.80) HTR2AMTNR1AMTNR1BNPC1RAB9A
SCHEMBL27427197 0.75 HTR2A (0.45) HTR2AMTNR1AMTNR1BNR4A2NR3C1
SCHEMBL12233833 0.73 HTR2A (0.67) HTR2AMTNR1AMTNR1BNR4A2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705034-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-27 — — US disclosed
CN-101522615-A Vinylogous acids derivatives as chymase inhibitors HOFFMANN LA ROCHE (CH) 2009-09-02 — — CN disclosed
EP-2074090-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-01 — — EP disclosed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 — — US disclosed
WO-2008043698-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-17 — — 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-20080096953-A1 Vinylogous acid derivatives CMA1, TPSG1, GAA HTR2A 3360/4885MTNR1A 1303/4885MTNR1B 1821/4885

“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