SCHEMBL6669869

SCHEMBL6669869

Clc1ccc(-c2cc(Sc3ccccc3)c3c(c2)C2CNCCC2O3)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 3/20 0.33
MAPK14 Q16539 1/20 0.33
HTR2C P28335 2/20 0.32
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR6 P50406 2/20 0.31
HTR2B P41595 1/20 0.31
CYP2D6 P10635 1/20 0.31
AHR P35869 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6674279 1.00 HTR2A (0.35) HTR2AKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL6670554 0.89 HTR2A (0.35) HTR2AKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL6648739 0.89 HTR2A (0.35) HTR2AKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL6668411 0.87 NPC1 (0.34) HTR2AKCNH2SLC6A2SLC6A4HTR2C
SCHEMBL6668323 0.87 NPC1 (0.34) HTR2AKCNH2SLC6A2SLC6A4HTR2C
SCHEMBL6671272 0.86 HTR2C (0.35) HTR2AKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL6668230 0.86 HTR2C (0.35) HTR2AKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL6669452 0.85 HTR2A (0.38) HTR2AKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL6668683 0.85 HTR2A (0.38) HTR2AKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL6644958 0.84 SLC6A2 (0.35) HTR2AKCNH2SLC6A2SLC6A4SLC6A3

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 HTR2A 23/4885KCNH2 1096/4885SLC6A2 128/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A HTR2A 23/4885KCNH2 1096/4885SLC6A2 128/4885

“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.