SCHEMBL6673626

SCHEMBL6673626

Clc1cc(Cl)c(-c2cc(Oc3ccccc3)c3c(c2)[C@@H]2CNCC[C@@H]2O3)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.37
SLC6A4 P31645 11/20 0.37
SLC6A3 Q01959 11/20 0.37
HTR1A P08908 3/20 0.37
CYP2D6 P10635 4/20 0.36
HTR2C P28335 5/20 0.35
HTR2B P41595 5/20 0.35
KCNH2 Q12809 1/20 0.34
CXCR2 P25025 1/20 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
SCHEMBL6666663 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL6668850 0.91 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL6646272 0.91 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL6670137 0.89 HTR2C (0.38) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL6671156 0.89 HTR2C (0.38) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL6672870 0.85 HTR2C (0.45) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL6670252 0.85 HTR2C (0.45) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL6646243 0.84 HTR2C (0.37) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL6643396 0.84 HTR2C (0.37) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL6669925 0.83 HTR2A (0.37) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C

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 7 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
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 US 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 SLC6A2 128/4885SLC6A4 47/4885SLC6A3 169/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A SLC6A2 128/4885SLC6A4 47/4885SLC6A3 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.