SCHEMBL6667559

SCHEMBL6667559

Clc1cc(Cl)c(-c2cc(SCc3ccccc3)c3c(c2)[C@@H]2CNCC[C@@H]2O3)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
HTR2C P28335 4/20 0.33
HTR2B P41595 3/20 0.33
HTR2A P28223 3/20 0.32
KCNH2 Q12809 3/20 0.32
SLC6A2 P23975 4/20 0.31
SLC6A4 P31645 4/20 0.31
SLC6A3 Q01959 4/20 0.31
CYP2D6 P10635 1/20 0.31
HTR6 P50406 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
SCHEMBL6670512 1.00 THRB (0.34) THRBHTR2CHTR2BHTR2AKCNH2
SCHEMBL6673048 0.91 SLC6A2 (0.33) THRBHTR2CHTR2BHTR2AKCNH2
SCHEMBL6671004 0.91 SLC6A2 (0.33) THRBHTR2CHTR2BHTR2AKCNH2
SCHEMBL6671272 0.90 HTR2C (0.35) THRBHTR2CHTR2BHTR2AKCNH2
SCHEMBL6668230 0.90 HTR2C (0.35) THRBHTR2CHTR2BHTR2AKCNH2
SCHEMBL6648739 0.85 HTR2A (0.35) HTR2CHTR2AKCNH2SLC6A2SLC6A4
SCHEMBL6670554 0.85 HTR2A (0.35) HTR2CHTR2AKCNH2SLC6A2SLC6A4
SCHEMBL6675134 0.85 HTR2A (0.32) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL6670291 0.85 HTR2A (0.32) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL6670150 0.83 KCNH2 (0.33) HTR2CHTR2BHTR2AKCNH2SLC6A2

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 THRB 751/4885HTR2C 14/4885HTR2B 21/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A THRB 751/4885HTR2C 14/4885HTR2B 21/4885

“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.