SCHEMBL6589446

SCHEMBL6589446

Fc1ccc2[nH]cc(CCN3CCN(c4cccc5c4OCC5)CC3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.70
HTR1A P08908 10/20 0.64
HTR7 P34969 10/20 0.64
MPO P05164 2/20 0.61
KCNH2 Q12809 2/20 0.57
HTR6 P50406 1/20 0.57
SLC6A4 P31645 2/20 0.56
DRD4 P21917 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
DRD3 P35462 1/20 0.55
HTR2B P41595 1/20 0.55

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
Oxalic Acid SCHEMBL6776482 0.95 DRD2 (0.64) DRD2HTR1AHTR7MPOKCNH2
SCHEMBL9369215 0.94 DRD2 (0.75) DRD2HTR1AHTR7MPOKCNH2
SCHEMBL6588798 0.89 DRD2 (0.70) DRD2HTR1AHTR7KCNH2HTR6
SCHEMBL6591394 0.88 DRD2 (0.89) DRD2HTR1AHTR7
Oxalic Acid SCHEMBL6777387 0.84 DRD2 (0.64) DRD2HTR1AHTR7KCNH2HTR6
SCHEMBL6589225 0.83 DRD2 (0.70) DRD2HTR1AHTR7KCNH2HTR6
Oxalic Acid SCHEMBL6590606 0.83 DRD2 (0.81) DRD2HTR1AHTR7
SCHEMBL3923281 0.82 DRD2 (1.00) DRD2HTR1AHTR7KCNH2SLC6A4
SCHEMBL9372393 0.81 DRD2 (0.95) DRD2HTR1AHTR7
SCHEMBL9374701 0.81 DRD2 (0.77) DRD2HTR1AHTR7SLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007523-B9 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-09-08 EP claimed
EP-1007523-B1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2003-10-22 EP claimed
US-6476035-B1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-11-05 US claimed
EP-1007523-B9 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-09-08 EP disclosed
US-6727263-B2 SEROTONINE REUPTAKE INHIBITOR; ANTIDEPRESSANTS; SIDE EFFECT REDUCTION H. LUNDBECK A/S (DK) 2004-04-27 US disclosed
EP-1007523-B1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2003-10-22 EP disclosed
US-20030018050-A1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-01-23 US disclosed
US-6476035-B1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-11-05 US 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 (1 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-20030018050-A1 Indole and 2,3-dihydroindole derivatives, their preparation and use TPH1, HTR1A, HTR3A DRD2 26/4885HTR1A 2/4885HTR7 16/4885

“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.