SCHEMBL6764756

SCHEMBL6764756

Oc1ccc(F)cc1-c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TMIGD3 P0DMS9 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
RPS6KB2 Q9UBS0 1/20 0.43
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
ERN1 O75460 1/20 0.42
IDO1 P14902 2/20 0.42
NPC1 O15118 1/20 0.42
TNFRSF1A P19438 1/20 0.42
PTGER2 P43116 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GPR35 Q9HC97 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL6764775 0.87 MAPT (0.46) MAPTTMIGD3ADORA2AADORA1RPS6KB2
SCHEMBL27965042 0.82 MAPT (0.49) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL14027112 0.82 RPS6KB2 (0.53) MAPTTMIGD3ADORA2AADORA1RPS6KB2
SCHEMBL6205484 0.81 TNFRSF1A (0.54) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL6765692 0.81 RPS6KB2 (0.46) MAPTTMIGD3ADORA2AADORA1RPS6KB2
SCHEMBL6067845 0.78 RPS6KB2 (0.55) MAPTTMIGD3ADORA2AADORA1RPS6KB2
SCHEMBL27572736 0.78 MAPT (0.45) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL21052177 0.78 KCNH2 (0.50) MAPTADORA2AADORA1GABRA1GABRG2
SCHEMBL6137070 0.78 KDM4E (0.46) MAPTTMIGD3ADORA2AADORA1RPS6KB2
SCHEMBL28769110 0.77 ERN1 (0.43) MAPTTMIGD3ADORA2AADORA1RPS6KB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242633-A1 Beta3 adrenergic agonists EVERS BRITTA (DE) 2004-12-02 US disclosed
US-6730792-B2 PYRIDINE DERIVATIVES; ANTIDIABETIC, ANTICHOLESTEROL, AND ANTIINFLAMMATORY AGENTS; DECYCLIZATION, DEETHERIFICATION; OBESITY; RAISES HIGH DENSITY LIPOPROTEINS; LOWERS TRIGLYCERIDE LEVELS ELI LILLY AND COMPANY 2004-05-04 US disclosed
US-20030191156-A1 Beta3 adrenergic agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2003-10-09 US disclosed
CN-1441800-A β3Adrenergic agonists LILLY CO ELI (US) 2003-09-10 CN disclosed
EP-1303509-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-23 EP disclosed
WO-2002006276-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2002-01-24 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 (2 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-20030191156-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 MAPT 1813/4885TMIGD3 1757/4885ADORA2A 519/4885
US-20040242633-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 MAPT 2096/4885TMIGD3 1941/4885ADORA2A 537/4885

“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.