SCHEMBL6983502

SCHEMBL6983502

CC(C)(C)CCC(C)(C)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
RIPK1 Q13546 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPN1 P18031 1/20 0.36
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
BCHE P06276 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL21327698 0.94 TSHR (0.48) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL4421706 0.86 TSHR (0.41) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL18525626 0.84 TSHR (0.43) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL21838058 0.82 TSHR (0.41) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL9903817 0.82 TSHR (0.44) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL19829244 0.81 CETP (0.41) TSHRIDO1AGXTALDH1A1MAPK1
SCHEMBL10660148 0.79 TSHR (0.39) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL12879586 0.79 TSHR (0.46) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL10172958 0.78 TSHR (0.42) TSHRIDO1AGXTALDH1A1LMNA
SCHEMBL17477217 0.78 IDO1 (0.46) TSHRIDO1AGXTALDH1A1SLC6A2

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-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR TSHR 238/4885IDO1 2197/4885AGXT 4667/4885

“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.