SCHEMBL6671272

SCHEMBL6671272

Clc1ccc(-c2cc(SCc3ccccc3)c3c(c2)[C@@H]2CNCC[C@@H]2O3)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
THRB P10828 1/20 0.34
HTR2A P28223 2/20 0.32
KCNH2 Q12809 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 1/20 0.32
AR P10275 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
NMT1 P30419 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6668230 1.00 HTR2C (0.35) HTR2CHTR2BTHRBHTR2AKCNH2
SCHEMBL6667559 0.90 THRB (0.34) HTR2CHTR2BTHRBHTR2AKCNH2
SCHEMBL6670512 0.90 THRB (0.34) HTR2CHTR2BTHRBHTR2AKCNH2
SCHEMBL6674372 0.88 AHR (0.34) HTR2CHTR2BHTR2AKCNH2SLC6A2
SCHEMBL6669223 0.88 AHR (0.34) HTR2CHTR2BHTR2AKCNH2SLC6A2
SCHEMBL6669869 0.86 HTR2A (0.35) HTR2CHTR2BHTR2AKCNH2SLC6A2
SCHEMBL6674279 0.86 HTR2A (0.35) HTR2CHTR2BHTR2AKCNH2SLC6A2
SCHEMBL6670565 0.85 SLC6A2 (0.33) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL6673048 0.85 SLC6A2 (0.33) HTR2CHTR2BTHRBHTR2AKCNH2
SCHEMBL6671257 0.85 SLC6A2 (0.33) HTR2CHTR2BHTR2ASLC6A2SLC6A4

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

“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.