SCHEMBL6668624

SCHEMBL6668624

Clc1cc(Cl)c(-c2cc(OC3CCCCC3)c3c(c2)[C@@H]2CNCC[C@@H]2O3)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.33
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31
MAP2K1 Q02750 1/20 0.31
MAP4K3 Q8IVH8 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
BCL9 O00512 2/20 0.30
CTNNB1 P35222 2/20 0.30
HPGD P15428 1/20 0.30
SLC6A4 P31645 1/20 0.30
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
SCHEMBL6670560 1.00 PDE4B (0.33) PDE4BHTR2CHTR2BMAP2K1MAP4K3
SCHEMBL6670132 0.91 HTR2C (0.33) PDE4BHTR2CHTR2BMAP4K3CHRNB2
SCHEMBL6669918 0.91 HTR2C (0.33) PDE4BHTR2CHTR2BMAP4K3CHRNB2
SCHEMBL6670742 0.88 HTR2C (0.35) PDE4BHTR2CHTR2BSLC6A4HTR6
SCHEMBL6670766 0.88 HTR2C (0.35) PDE4BHTR2CHTR2BSLC6A4HTR6
SCHEMBL6646243 0.85 HTR2C (0.37) HTR2CHTR2BSLC6A4HTR6
SCHEMBL6643396 0.85 HTR2C (0.37) HTR2CHTR2BSLC6A4HTR6
SCHEMBL6649684 0.84 KCNH2 (0.33) HTR2CHTR2BSLC6A4
SCHEMBL6670012 0.84 KCNH2 (0.33) HTR2CHTR2BSLC6A4
SCHEMBL6671182 0.82 SLC6A2 (0.35) HTR2CHTR2BSLC6A4HTR6

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 PDE4B 389/4885HTR2C 14/4885HTR2B 21/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A PDE4B 389/4885HTR2C 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.