SCHEMBL6285396

SCHEMBL6285396

N#Cc1cccc(COc2cncc(Cl)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.60
MRGPRX4 Q96LA9 3/20 0.52
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CHRM4 P08173 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
FPR3 P25089 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46

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
SCHEMBL6287266 0.82 HTR2A (0.60) GRM5HTR2AHTR2CHTR2BCHRM4
SCHEMBL1134458 0.78 HTR2A (0.43) GRM5GABRG2GABRB3GABRA5GABRA3
SCHEMBL3266839 0.77 MAOB (0.49) HTR2AHTR2CHTR2BCHRM4ADRB1
SCHEMBL3272326 0.77 MAPK1 (0.48) HTR2AHTR2CHTR2BCHRM4ADRB1
SCHEMBL22932921 0.77 GRM5 (0.41) GRM5CYP11B1CYP11B2
SCHEMBL29664275 0.77 GRM5 (0.41) GRM5CYP11B1CYP11B2
SCHEMBL11380119 0.77 GRM5 (0.47) GRM5HRH3CYP19A1
SCHEMBL905932 0.77 HTR2C (0.73) GRM5GABRG2GABRB3GABRA5GABRA3
SCHEMBL3270680 0.76 FFAR1 (0.44) GRM5HTR2AHTR2CHTR2BCYP11B1
SCHEMBL3272689 0.76 GRM5 (0.46) GRM5HTR2AHTR2CHTR2BCYP11B1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 US disclosed
US-20050020604-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-01-27 US disclosed
EP-1401820-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 US disclosed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 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 (3 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-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A GRM5 30/4885MRGPRX4 220/4885GABRG2 283/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A GRM5 30/4885MRGPRX4 220/4885GABRG2 283/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A GRM5 30/4885MRGPRX4 245/4885GABRG2 289/4885

“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.