SCHEMBL5724971

SCHEMBL5724971

Fc1ccc2[nH]cc(Cc3ccncc3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.71
MPO P05164 11/20 0.58
HTR2A P28223 3/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
HTR1A P08908 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.52
HTR2C P28335 1/20 0.51
SLC6A4 P31645 1/20 0.50

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
SCHEMBL11050443 0.87 MPO (0.61) GPR84MPOHTR2ATRPM8HTR1A
SCHEMBL30482437 0.84 GPR84 (1.00) GPR84MPOHTR2ATRPM8HTR1A
SCHEMBL18383118 0.84 GPR84 (1.00) GPR84MPOHTR2ATRPM8HTR1A
SCHEMBL30913603 0.84 GPR84 (1.00) GPR84MPOHTR2ATRPM8HTR1A
SCHEMBL5725721 0.83 GPR84 (0.63) GPR84MPOHTR2ATRPM8HTR1A
SCHEMBL31744625 0.82 GPR84 (0.71) GPR84MPOHTR2ATRPM8HTR1A
SCHEMBL1993893 0.78 MEN1 (0.74) GPR84MPOHTR2AHTR1AKMT2A
SCHEMBL29007187 0.76 GPR84 (1.00) GPR84MPOHTR2ATRPM8HTR1A
SCHEMBL31744639 0.76 GPR84 (0.71) GPR84MPOHTR2ATRPM8HTR1A
SCHEMBL7085655 0.76 GPR84 (0.61) GPR84MPOHTR2AHTR1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355900-B1 HETEROCYCLYLALKYLINDOLE OR -AZAINDOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2006-05-24 EP disclosed
CN-1492863-A Heterocyclylalkyl-indole or azaindole compounds as 5-hydroxytryptamine-6 ligands 2004-04-28 CN disclosed
US-20030225121-A1 Heterocyclylalkylindole or-azaindole compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-12-04 US disclosed
EP-1355900-A2 HETEROCYCLYLALKYLINDOLE OR -AZAINDOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2003-10-29 EP disclosed
US-6613781-B2 Potential use in the treatment of a variety of central nervous system disorders such as anxiety, depression, epilepsy, obsessive-compulsive disorders, migraine, congnitive disorders, sleep disorders and schizophrenia WYETH 2003-09-02 US disclosed
US-6610712-B2 Treating serotonin-related central nervous system disorders WYETH 2003-08-26 US disclosed
US-6489342-B2 5-FLUORO-3-(1-(2-(1H-INDOL-4-YLOXY)ETHYL)-PIPERIDIN-4-YLMETHYL) -1H-INDOLE, FOR EXAMPLE; ACT AT THE 5-HT1A AUTORECEPTORS AND CONCOMITANTLY WITH THE 5-HT TRANSPORTER WYETH 2002-12-03 US disclosed
US-20020128477-A1 Heterocyclylalkylindole or -azaindole compounds as 5-hydroxytryptamine-6 ligands AMERICAN HOME PRODUCTS CORPORATION (US) 2002-09-12 US disclosed
US-20020099078-A1 Aryloxy piperidinyl indoles for treating depression AMERICAN HOME PRODUCTS CORPORATION (US) 2002-07-25 US disclosed
WO-2002051832-A2 HETEROCYCLYLALKYLINDOLE OR -AZAINDOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-07-04 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-20020128477-A1 Heterocyclylalkylindole or -azaindole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A GPR84 139/4885MPO 3353/4885HTR2A 5/4885
US-20030225121-A1 Heterocyclylalkylindole or-azaindole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A GPR84 139/4885MPO 3353/4885HTR2A 5/4885
US-20020099078-A1 Aryloxy piperidinyl indoles for treating depression TPH2, TPH1, HTR2C GPR84 1786/4885MPO 1032/4885HTR2A 11/4885

“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.