SCHEMBL6594841

SCHEMBL6594841

Fc1ccc2[nH]cc(CCN3CC=C(c4cccc5c4OCCO5)CC3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.68
SLC6A4 P31645 5/20 0.68
DRD2 P14416 3/20 0.59
DRD4 P21917 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR7 P34969 1/20 0.51
DRD3 P35462 1/20 0.51
HTR2B P41595 1/20 0.51
HTR6 P50406 1/20 0.51
MPO P05164 1/20 0.51

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
SCHEMBL6589336 0.90 DRD2 (0.59) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL6591284 0.84 DRD2 (0.59) HTR1ASLC6A4DRD2
SCHEMBL6610951 0.83 HTR1A (0.64) HTR1ASLC6A4
SCHEMBL7533659 0.83 HTR1A (0.62) HTR1ASLC6A4DRD2DRD4HTR2A
SCHEMBL7220964 0.81 HTR1A (1.00) HTR1ASLC6A4DRD2DRD4HTR2A
SCHEMBL6588929 0.81 HTR1A (0.60) HTR1ASLC6A4DRD2DRD4HTR2A
Oxalic Acid SCHEMBL6773377 0.80 DRD2 (0.54) HTR1ASLC6A4DRD2
SCHEMBL6591394 0.79 DRD2 (0.89) HTR1ADRD2HTR7
SCHEMBL6586953 0.78 DRD2 (0.64) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL8554164 0.77 DRD2 (0.69) HTR1ASLC6A4DRD2DRD4HTR2A

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 9 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
CN-1515568-A Indole and 2,3-indoline derivative, their preparation and application H.隆德贝克有限公司 2004-07-28 CN claimed
US-6727263-B2 SEROTONINE REUPTAKE INHIBITOR; ANTIDEPRESSANTS; SIDE EFFECT REDUCTION H. LUNDBECK A/S (DK) 2004-04-27 US 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-20030018050-A1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-01-23 US claimed
US-6476035-B1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-11-05 US claimed
US-6727263-B2 SEROTONINE REUPTAKE INHIBITOR; ANTIDEPRESSANTS; SIDE EFFECT REDUCTION H. LUNDBECK A/S (DK) 2004-04-27 US 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 HTR1A 2/4885SLC6A4 25/4885DRD2 26/4885

“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.