SCHEMBL6281153

SCHEMBL6281153

[O-][n+]1cc(Cl)nc(OCc2cccc(Cl)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.55
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
MAOB P27338 2/20 0.44
CYP3A4 P08684 2/20 0.44
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
DHFR P00374 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
MPO P05164 1/20 0.43
CHRM4 P08173 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
FPR3 P25089 1/20 0.42
HTR1D P28221 1/20 0.42

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
SCHEMBL906155 0.78 HTR2C (0.69) GRM5MAOBHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL6286481 0.77 HTR2C (0.69) GRM5MAOBHTR2AHTR2CHTR2B
SCHEMBL6287266 0.75 HTR2A (0.60) GRM5KDM4EHPGDMAOBCYP3A4
SCHEMBL17810144 0.72 MAOB (0.62) GRM5MAOBCYP3A4IDO1AGXT
SCHEMBL31060977 0.71 GRM5 (1.00) GRM5KDM4EHPGDMAOBDHFR
SCHEMBL4292772 0.71 GRM5 (1.00) GRM5KDM4EHPGDMAOBDHFR
SCHEMBL30701931 0.70 NPC1 (0.67) GRM5KDM4EHPGDMAOBCYP3A4
SCHEMBL16437444 0.68 NUDT1 (0.40) GRM5MAOBCYP3A4IDO1MPO
SCHEMBL1855225 0.68 CYP3A4 (0.67) KDM4EHPGDMAOBCYP3A4IDO1
SCHEMBL8752813 0.67 ALOX5 (0.69) MAOBDHFR

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
CN-1745074-A 5-HT receptor ligands and uses thereof PFIZER PROD INC (US) 2006-03-08 CN disclosed
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 30/4885KDM4E 4327/4885HPGD 650/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A GRM5 30/4885KDM4E 4327/4885HPGD 650/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A GRM5 30/4885KDM4E 4285/4885HPGD 675/4885

“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.