SCHEMBL6669736

SCHEMBL6669736

CCc1cc(-c2c(F)cc(Cl)cc2F)cc2c1OC1CCNCC21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.34
REN P00797 1/20 0.32
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 1/20 0.32
SLC6A2 P23975 6/20 0.32
SLC6A4 P31645 6/20 0.32
SLC6A3 Q01959 3/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 2/20 0.31
FPR1 P21462 2/20 0.31
FPR2 P25090 1/20 0.31
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL6671560 1.00 HTR6 (0.34) HTR6RENCYP3A4KCNH2SLC6A2
SCHEMBL6670507 0.92 AKT1 (0.33) HTR6RENCYP3A4KCNH2SLC6A2
SCHEMBL6666654 0.92 AKT1 (0.33) HTR6RENCYP3A4KCNH2SLC6A2
SCHEMBL6668800 0.91 HTR2A (0.35) KCNH2SLC6A2SLC6A4SLC6A3GABRA1
SCHEMBL6671416 0.91 HTR2A (0.35) KCNH2SLC6A2SLC6A4SLC6A3GABRA1
SCHEMBL6669963 0.90 HTR2A (0.35) HTR6RENCYP3A4KCNH2SLC6A2
SCHEMBL6672967 0.90 HTR2A (0.35) HTR6RENCYP3A4KCNH2SLC6A2
SCHEMBL6669618 0.85 HTR6 (0.34) HTR6RENCYP3A4KCNH2SLC6A2
SCHEMBL6645326 0.85 HTR6 (0.34) HTR6RENCYP3A4KCNH2SLC6A2
SCHEMBL6669720 0.84 HTR2A (0.35) KCNH2SLC6A2SLC6A4SLC6A3HTR2A

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 2/4885REN 256/4885CYP3A4 438/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A HTR6 2/4885REN 256/4885CYP3A4 438/4885

“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.