SCHEMBL4492495

SCHEMBL4492495

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 2/20 0.52
▸ MTNR1A P48039 2/20 0.49
▸ MTNR1B P49286 2/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ NR4A2 P43354 2/20 0.48
▸ GFER P55789 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ADRB3 P13945 2/20 0.46
▸ PPARG P37231 1/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ NR3C2 P08235 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ GOT1 P17174 1/20 0.40
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP14 P50281 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
SCHEMBL4500910 0.90 MTNR1A (0.62) GPR84MTNR1AMTNR1BSLC6A4NR4A2
SCHEMBL3284070 0.86 HTR2A (0.49) MTNR1AMTNR1BNR4A2NR3C1NR3C2
SCHEMBL14898398 0.81 GPR84 (0.55) GPR84MTNR1AMTNR1BSLC6A4NR4A2
SCHEMBL19661499 0.81 GPR84 (0.55) GPR84MTNR1AMTNR1BSLC6A4NR4A2
SCHEMBL14317336 0.81 GPR84 (0.54) GPR84MTNR1AMTNR1BSLC6A4NR4A2
SCHEMBL3184502 0.79 GPR84 (0.67) GPR84MTNR1AMTNR1BSLC6A4NR4A2
SCHEMBL3281598 0.79 MTNR1A (0.60) GPR84MTNR1AMTNR1BSLC6A4NR4A2
SCHEMBL3015319 0.78 GPR84 (0.54) GPR84MTNR1AMTNR1BSLC6A4NR4A2
SCHEMBL3015316 0.78 GPR84 (0.54) GPR84MTNR1AMTNR1BSLC6A4NR4A2
SCHEMBL22086281 0.77 GPR84 (0.56) GPR84MTNR1AMTNR1BSLC6A4NR4A2

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-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 — — US disclosed
CN-101321749-A Novel vinylogous acid derivatives HOFFMANN LA ROCHE (CH) 2008-12-10 — — CN disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 — — EP disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 — — WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 — — 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-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 GPR84 476/4885MTNR1A 454/4885MTNR1B 756/4885

“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.

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