SCHEMBL6669618

SCHEMBL6669618

Cc1cc(-c2c(F)cc(Cl)cc2F)cc2c1O[C@H]1CCNC[C@@H]21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.34
HTR2C P28335 3/20 0.32
HTR2B P41595 2/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA4 P43681 2/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
HTR2A P28223 1/20 0.30
REN P00797 1/20 0.30
CYP3A4 P08684 1/20 0.30
KCNH2 Q12809 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
SCHEMBL6645326 1.00 HTR6 (0.34) HTR6HTR2CHTR2BSLC6A2SLC6A4
SCHEMBL6669222 0.89 HTR2C (0.34) HTR6HTR2CHTR2BGABRA1GABRG2
SCHEMBL6645418 0.89 HTR2C (0.34) HTR6HTR2CHTR2BGABRA1GABRG2
SCHEMBL6669880 0.86 HTR6 (0.33) HTR6HTR2C
SCHEMBL6669048 0.86 HTR6 (0.33) HTR6HTR2C
SCHEMBL6668755 0.85 HTR6 (0.32) HTR6HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL6671716 0.85 HTR2A (0.34) HTR6HTR2CHTR2BSLC6A2SLC6A4
SCHEMBL6669385 0.85 HTR6 (0.32) HTR6HTR2C
SCHEMBL6643509 0.85 HTR6 (0.32) HTR6HTR2C
SCHEMBL6671560 0.85 HTR6 (0.34) HTR6HTR2CHTR2BSLC6A2SLC6A4

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
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 US 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 HTR6 2/4885HTR2C 14/4885HTR2B 21/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A HTR6 2/4885HTR2C 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.