SCHEMBL6669918

SCHEMBL6669918

Fc1cc(Cl)cc(F)c1-c1cc(OC2CCCCC2)c2c(c1)C1CNCCC1O2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.33
HTR2B P41595 6/20 0.33
PDE4B Q07343 1/20 0.33
HTR6 P50406 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HTR1A P08908 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
MAP4K3 Q8IVH8 2/20 0.30
BCL9 O00512 1/20 0.30
CTNNB1 P35222 1/20 0.30

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
SCHEMBL6670132 1.00 HTR2C (0.33) HTR2CHTR2BPDE4BHTR6SLC6A2
SCHEMBL6668624 0.91 PDE4B (0.33) HTR2CHTR2BPDE4BHTR6SLC6A4
SCHEMBL6670560 0.91 PDE4B (0.33) HTR2CHTR2BPDE4BHTR6SLC6A4
SCHEMBL6669768 0.85 HTR2A (0.34) HTR2CHTR2BHTR6SLC6A2SLC6A4
SCHEMBL6671716 0.85 HTR2A (0.34) HTR2CHTR2BHTR6SLC6A2SLC6A4
SCHEMBL6669206 0.84 HTR2C (0.33) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL6645225 0.84 HTR2C (0.33) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL6670742 0.83 HTR2C (0.35) HTR2CHTR2BPDE4BHTR6SLC6A4
SCHEMBL6670766 0.83 HTR2C (0.35) HTR2CHTR2BPDE4BHTR6SLC6A4
SCHEMBL6647053 0.82 HTR2C (0.35) HTR2CHTR2BHTR6SLC6A2SLC6A4

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 HTR2C 14/4885HTR2B 21/4885PDE4B 389/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A HTR2C 14/4885HTR2B 21/4885PDE4B 389/4885

“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.