SCHEMBL6669708

SCHEMBL6669708

CCCN(CC)c1cc(-c2ccc(Cl)cc2Cl)cc2c1O[C@H]1CCNC[C@@H]21

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34

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
SCHEMBL6645698 1.00 CRHR1 (0.35) CRHR1SLC6A2SLC6A4
SCHEMBL6673603 0.96 CRHR1 (0.38) CRHR1SLC6A2SLC6A4
SCHEMBL6667325 0.96 CRHR1 (0.38) CRHR1SLC6A2SLC6A4
SCHEMBL6668927 0.94 SLC6A2 (0.35) CRHR1SLC6A2SLC6A4
SCHEMBL6648633 0.94 SLC6A2 (0.35) CRHR1SLC6A2SLC6A4
SCHEMBL6671233 0.90 CRHR1 (0.35) CRHR1SLC6A2SLC6A4
SCHEMBL6668803 0.90 CRHR1 (0.35) CRHR1SLC6A2SLC6A4
SCHEMBL6668112 0.89 SLC6A2 (0.35) SLC6A2SLC6A4
SCHEMBL6668630 0.89 SLC6A2 (0.35) SLC6A2SLC6A4
SCHEMBL6668608 0.86 SLC6A2 (0.34) CRHR1SLC6A2SLC6A4

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 CRHR1 42/4885SLC6A2 128/4885SLC6A4 47/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A CRHR1 42/4885SLC6A2 128/4885SLC6A4 47/4885

“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.