SCHEMBL4500910

SCHEMBL4500910

CC(=O)NC(C)(C)Cc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.62
▸ MTNR1B P49286 1/20 0.62
▸ GFER P55789 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ GPR84 Q9NQS5 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ MMP14 P50281 1/20 0.50
▸ SLC6A4 P31645 1/20 0.49
▸ HTR2A P28223 3/20 0.48
▸ NR4A2 P43354 1/20 0.48
▸ TRPM8 Q7Z2W7 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALOX15 P16050 1/20 0.48

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 0.90 GPR84 (0.52) MTNR1AMTNR1BGFERHSD17B10GPR84
SCHEMBL22879502 0.79 GPR84 (0.63) MTNR1AMTNR1BGFERHSD17B10GPR84
SCHEMBL12396967 0.79 GPR84 (0.67) MTNR1AMTNR1BGFERHSD17B10GPR84
SCHEMBL3284070 0.78 HTR2A (0.49) MTNR1AMTNR1BTSHRHTR2ANR4A2
SCHEMBL4510688 0.76 GPR84 (0.63) MTNR1AMTNR1BGFERHSD17B10GPR84
SCHEMBL11840601 0.76 MTNR1A (0.64) MTNR1AMTNR1BGFERHSD17B10GPR84
SCHEMBL4510886 0.76 MTNR1A (1.00) MTNR1AMTNR1BGFERHSD17B10TSHR
SCHEMBL4878964 0.74 MTNR1A (0.69) MTNR1AMTNR1BGFERHSD17B10GPR84
SCHEMBL10119751 0.74 GPR84 (0.73) MTNR1AMTNR1BGFERHSD17B10GPR84
SCHEMBL9257193 0.74 GPR84 (0.55) MTNR1AMTNR1BGFERHSD17B10GPR84

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-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 — — US 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 MTNR1A 454/4885MTNR1B 756/4885GFER 431/4885

“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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