SCHEMBL6138331

SCHEMBL6138331

CC1CC1COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
TAAR1 Q96RJ0 1/20 0.44
LMNA P02545 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
AGTR2 P50052 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
IDO1 P14902 1/20 0.39
NAAA Q02083 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
SCHEMBL30210778 1.00 TSHR (0.52) TSHRTAAR1LMNABCHEACHE
SCHEMBL15095289 0.84 LMNA (0.37) TSHRTAAR1LMNABCHEACHE
SCHEMBL22110584 0.82 TSHR (0.58) TSHRTAAR1LMNABCHEACHE
SCHEMBL18631044 0.81 TSHR (0.52) TSHRTAAR1LMNABCHEACHE
SCHEMBL21297456 0.81 TSHR (0.52) TSHRTAAR1LMNABCHEACHE
SCHEMBL18631046 0.81 TSHR (0.52) TSHRTAAR1LMNABCHEACHE
SCHEMBL20886675 0.81 BCHE (0.48) TSHRTAAR1LMNABCHEACHE
SCHEMBL12152899 0.81 BCHE (0.48) TSHRTAAR1LMNABCHEACHE
SCHEMBL30580359 0.80 TSHR (0.47) TSHRTAAR1LMNABCHEACHE
SCHEMBL30580353 0.80 TSHR (0.47) TSHRTAAR1LMNABCHEACHE

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
CN-110709392-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
EP-1170281-B1 1,1- and 1,2-disubstituted cyclopropanes, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2005-12-21 EP disclosed
EP-1170281-A1 1,1- and 1,2-disubstituted cyclopropanes, process for their preparation and pharmaceutical compositions thereof LES LABORATOIRES SERVIER (FR) 2002-01-09 EP 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-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 TSHR 4810/4885TAAR1 4585/4885LMNA 3272/4885

“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.