SCHEMBL6670072

SCHEMBL6670072

CC(C)c1cc(-c2c(Cl)cc(Cl)cc2Cl)cc2c1OC1CCNCC21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32

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
SCHEMBL6671326 1.00 HTR2A (0.32) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL6668755 0.90 HTR6 (0.32) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL6646223 0.90 HTR6 (0.32) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL6669656 0.88 HTR2A (0.30) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL6673117 0.88 HTR2A (0.30) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL6668854 0.87 SLC6A2 (0.34) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL6671222 0.87 SLC6A2 (0.34) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL6669222 0.85 HTR2C (0.34) HTR2AHTR2CHTR2B
SCHEMBL6645418 0.85 HTR2C (0.34) HTR2AHTR2CHTR2B
SCHEMBL6668255 0.84 HTR2A (0.32) HTR2AHTR2CHTR2B

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 7 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
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 US 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 23/4885HTR2C 14/4885HTR2B 21/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A HTR2A 23/4885HTR2C 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.