SCHEMBL6668908

SCHEMBL6668908

Clc1ccc(-c2cc3c(c(N(C4CCCCC4)C4CCCCC4)c2)OC2CCNCC32)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
HTR2C P28335 1/20 0.33
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR1 P21554 1/20 0.30
AHR P35869 1/20 0.30
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30
NOS2 P35228 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
SCHEMBL6670574 1.00 SLC6A2 (0.33) SLC6A2SLC6A4HTR2CMAPK1KMT2A
SCHEMBL6672920 0.91 CNR1 (0.33) SLC6A2SLC6A4HTR2CMAPK1KMT2A
SCHEMBL6669457 0.91 CNR1 (0.33) SLC6A2SLC6A4HTR2CMAPK1KMT2A
SCHEMBL6667168 0.88 SLC6A2 (0.34) SLC6A2SLC6A4HTR2CCNR1CYP2D6
SCHEMBL6671835 0.88 SLC6A2 (0.34) SLC6A2SLC6A4HTR2CCNR1CYP2D6
SCHEMBL6669002 0.87 SLC6A2 (0.34) SLC6A2SLC6A4HTR2CCNR1CYP2D6
SCHEMBL6668608 0.87 SLC6A2 (0.34) SLC6A2SLC6A4HTR2CCNR1CYP2D6
SCHEMBL6670462 0.86 MAPK1 (0.34) SLC6A2SLC6A4HTR2CMAPK1KMT2A
SCHEMBL6644901 0.86 MAPK1 (0.34) SLC6A2SLC6A4HTR2CMAPK1KMT2A
SCHEMBL6801974 0.85 MAPK1 (0.36) SLC6A2SLC6A4HTR2CMAPK1KMT2A

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 SLC6A2 128/4885SLC6A4 47/4885HTR2C 14/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A SLC6A2 128/4885SLC6A4 47/4885HTR2C 14/4885

“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.