SCHEMBL6668029

SCHEMBL6668029

Clc1ccc(-c2cc(Nc3ccccc3)c3c(c2)[C@@H]2CNCC[C@@H]2O3)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
KCNH2 Q12809 2/20 0.35
ACP1 P24666 3/20 0.35
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 3/20 0.33
MAPK14 Q16539 1/20 0.32
JAK3 P52333 1/20 0.32
HTR2C P28335 1/20 0.32
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR6 P50406 1/20 0.31
CYP2D6 P10635 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
SCHEMBL6668287 1.00 HTR2A (0.35) HTR2AKCNH2ACP1SLC6A2SLC6A4
SCHEMBL6667146 0.89 HTR2A (0.35) HTR2AKCNH2ACP1SLC6A2SLC6A4
SCHEMBL6669770 0.89 HTR2A (0.35) HTR2AKCNH2ACP1SLC6A2SLC6A4
SCHEMBL6671356 0.86 CCNT1 (0.35) HTR2AKCNH2ACP1HTR2C
SCHEMBL6669452 0.85 HTR2A (0.38) HTR2AKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL6668683 0.85 HTR2A (0.38) HTR2AKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL6670496 0.84 SLC6A2 (0.35) HTR2AKCNH2ACP1SLC6A2SLC6A4
SCHEMBL6668873 0.84 SLC6A2 (0.35) HTR2AKCNH2ACP1SLC6A2SLC6A4
SCHEMBL6674141 0.83 CNR1 (0.35) JAK3HTR2CMAPK1KMT2A
SCHEMBL6671049 0.83 CNR1 (0.35) JAK3HTR2CMAPK1KMT2A

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 1096/4885ACP1 3818/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A HTR2A 23/4885KCNH2 1096/4885ACP1 3818/4885

“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.