SCHEMBL6671222

SCHEMBL6671222

CC(C)c1cc(-c2ccc(Cl)cc2Cl)cc2c1O[C@H]1CCNC[C@@H]21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.34
SLC6A4 P31645 8/20 0.34
KCNH2 Q12809 3/20 0.34
CYP2D6 P10635 1/20 0.34
HTR2C P28335 6/20 0.33
SLC6A3 Q01959 4/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
AHR P35869 1/20 0.33
HTR2B P41595 5/20 0.32
HTR6 P50406 1/20 0.31
HTR2A P28223 4/20 0.31
ADRB1 P08588 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CNR1 P21554 1/20 0.30
HRH1 P35367 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
SCHEMBL6668854 1.00 SLC6A2 (0.34) SLC6A2SLC6A4KCNH2CYP2D6HTR2C
SCHEMBL6667191 0.89 SLC6A2 (0.33) SLC6A2SLC6A4KCNH2CYP2D6HTR2C
SCHEMBL6670275 0.89 SLC6A2 (0.33) SLC6A2SLC6A4KCNH2CYP2D6HTR2C
SCHEMBL6671326 0.87 HTR2A (0.32) SLC6A2SLC6A4HTR2CSLC6A3HTR2B
SCHEMBL6670072 0.87 HTR2A (0.32) SLC6A2SLC6A4HTR2CSLC6A3HTR2B
SCHEMBL6671335 0.86 MAPK1 (0.35) SLC6A2SLC6A4KCNH2HTR2CSLC6A3
SCHEMBL6668588 0.86 MAPK1 (0.35) SLC6A2SLC6A4KCNH2HTR2CSLC6A3
SCHEMBL6670462 0.85 MAPK1 (0.34) SLC6A2SLC6A4KCNH2CYP2D6HTR2C
SCHEMBL6644901 0.85 MAPK1 (0.34) SLC6A2SLC6A4KCNH2CYP2D6HTR2C
SCHEMBL6670332 0.85 SLC6A4 (0.38) SLC6A2SLC6A4KCNH2CYP2D6HTR2C

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 47/4885KCNH2 1096/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A SLC6A2 128/4885SLC6A4 47/4885KCNH2 1096/4885

“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.