SCHEMBL6646243

SCHEMBL6646243

COc1cc(-c2c(Cl)cc(Cl)cc2Cl)cc2c1OC1CCNCC21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.37
HTR2A P28223 8/20 0.37
HTR2B P41595 6/20 0.35
HTR3A P46098 2/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1E P28566 1/20 0.33
HTR7 P34969 1/20 0.33
HTR5A P47898 1/20 0.33
HTR6 P50406 1/20 0.33
HTR4 Q13639 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP2D6 P10635 1/20 0.32
DRD4 P21917 1/20 0.31

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
SCHEMBL6643396 1.00 HTR2C (0.37) HTR2CHTR2AHTR2BHTR3AHTR1A
SCHEMBL6669768 0.90 HTR2A (0.34) HTR2CHTR2AHTR2BHTR6SLC6A2
SCHEMBL6671716 0.90 HTR2A (0.34) HTR2CHTR2AHTR2BHTR6SLC6A2
SCHEMBL6669463 0.88 SLC6A2 (0.35) HTR2CHTR2AHTR2BHTR6SLC6A2
SCHEMBL6671182 0.88 SLC6A2 (0.35) HTR2CHTR2AHTR2BHTR6SLC6A2
SCHEMBL6671587 0.88 HTR2C (0.38) HTR2CHTR2AHTR2BHTR1ASLC6A2
SCHEMBL6643679 0.88 HTR2C (0.38) HTR2CHTR2AHTR2BHTR1ASLC6A2
SCHEMBL6671904 0.87 SLC6A2 (0.36) HTR2CHTR2AHTR2BHTR3AHTR1A
SCHEMBL6649790 0.87 SLC6A2 (0.36) HTR2CHTR2AHTR2BHTR3AHTR1A
SCHEMBL6671429 0.86 HTR2C (0.34) HTR2CHTR2B

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 HTR2C 14/4885HTR2A 23/4885HTR2B 21/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A HTR2C 14/4885HTR2A 23/4885HTR2B 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.