SCHEMBL6647589

SCHEMBL6647589

CCC(CC)Oc1cc(-c2c(F)cc(Cl)cc2F)cc2c1O[C@H]1CCNC[C@@H]21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
MET P08581 6/20 0.33
ALK Q9UM73 5/20 0.31
HTR6 P50406 4/20 0.31
JAK2 O60674 3/20 0.31
MAP4K3 Q8IVH8 3/20 0.31
INSR P06213 3/20 0.31
PLK4 O00444 2/20 0.31
AURKA O14965 2/20 0.31
DCLK1 O15075 2/20 0.31
PRKD3 O94806 2/20 0.31
ABL1 P00519 2/20 0.31
NTRK1 P04629 2/20 0.31
LCK P06239 2/20 0.31
FES P07332 2/20 0.31
CSF1R P07333 2/20 0.31
LYN P07948 2/20 0.31
RET P07949 2/20 0.31

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
SCHEMBL6670842 1.00 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3METALK
SCHEMBL6668239 0.91 SLC6A2 (0.32) SLC6A4SLC6A2SLC6A3METHTR6
SCHEMBL6672051 0.91 SLC6A2 (0.32) SLC6A4SLC6A2SLC6A3METHTR6
SCHEMBL6668438 0.89 SLC6A2 (0.37) SLC6A4SLC6A2SLC6A3METHTR6
SCHEMBL6670628 0.89 SLC6A2 (0.37) SLC6A4SLC6A2SLC6A3METHTR6
SCHEMBL6647053 0.87 HTR2C (0.35) SLC6A4SLC6A2SLC6A3ALKHTR6
SCHEMBL6647620 0.87 HTR2C (0.35) SLC6A4SLC6A2SLC6A3ALKHTR6
SCHEMBL6671716 0.86 HTR2A (0.34) SLC6A4SLC6A2SLC6A3ALKHTR6
SCHEMBL6669768 0.86 HTR2A (0.34) SLC6A4SLC6A2SLC6A3ALKHTR6
SCHEMBL6672161 0.85 HTR2C (0.33) SLC6A4SLC6A2SLC6A3HTR6FLT1

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 SLC6A4 47/4885SLC6A2 128/4885SLC6A3 169/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A SLC6A4 47/4885SLC6A2 128/4885SLC6A3 169/4885

“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.