SCHEMBL6667476

SCHEMBL6667476

FC(F)(F)Oc1ccccc1-c1ccc2c(c1)C1CNCCC1O2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
SCN9A Q15858 4/20 0.39
PLAT P00750 1/20 0.37
S1PR1 P21453 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
BACE1 P56817 1/20 0.36
HTR6 P50406 1/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL6668455 0.84 CYP1A2 (0.41) TRPA1HTR6
SCHEMBL2274664 0.73 HTR2C (0.49) HTR6
SCHEMBL6645750 0.73 HTR2C (0.38) HTR6
SCHEMBL6672883 0.72 MGLL (0.42) SCN9ATACR1
SCHEMBL4233870 0.71 HTR6 (0.45) HTR6
Hydrochloric Acid SCHEMBL6644060 0.70 HTR6 (0.47) HTR6
SCHEMBL23899062 0.64 HTR6 (0.58) HTR6
SCHEMBL30369327 0.64 HTR6 (0.58) HTR6
SCHEMBL28769471 0.64 SCN9A (0.43) SCN9ACAMKK2BACE1
SCHEMBL23363479 0.64 CAMKK2 (0.43) SCN9ACAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762191-B2 TREATING DISEASES FOR MODULATING OF 5-HT ACTIVITY, CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY, OBESITY, DEPRESSION, OR A STRESS-RELATED DISEASE PHARMACIA & UPJOHN COMPANY 2004-07-13 US claimed
EP-1404679-A2 (HETERO)ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 EP claimed
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 US claimed
WO-2003004501-A2 (HETERO) ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-16 WO claimed
US-20040214815-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-6762191-B2 TREATING DISEASES FOR MODULATING OF 5-HT ACTIVITY, CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY, OBESITY, DEPRESSION, OR A STRESS-RELATED DISEASE PHARMACIA & UPJOHN COMPANY 2004-07-13 US disclosed
EP-1404679-A2 (HETERO)ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 EP disclosed
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 US disclosed
WO-2003004501-A2 (HETERO) ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-16 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-20040214815-A1 Therapeutic compounds HTR5A, HTR6, HTR1A TRPA1 1498/4885SCN9A 2042/4885PLAT 3928/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A TRPA1 1498/4885SCN9A 2042/4885PLAT 3928/4885

“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.