SCHEMBL6587714

SCHEMBL6587714

Clc1ccc2c(CCN3CCN(C4CCC(Cc5ccccc5)SC4)CC3)c[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.42
KCNH2 Q12809 6/20 0.42
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
HTR7 P34969 2/20 0.41
SLC6A4 P31645 2/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
HTR2A P28223 1/20 0.40
HTR1A P08908 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37

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
SCHEMBL6589464 0.93 HTR6 (0.49) HTR6KCNH2HTR7SLC6A4OPRM1
SCHEMBL6588961 0.87 HTR6 (0.42) HTR6KCNH2DRD2DRD4DRD3
SCHEMBL6591153 0.84 MPO (0.54) HTR6KCNH2HTR7SLC6A4HTR1A
SCHEMBL6591251 0.80 HTR6 (0.50) HTR6KCNH2HTR7SLC6A4OPRM1
SCHEMBL27816676 0.72 MPO (0.61) HTR6DRD2SLC6A4HTR2BHTR2A
SCHEMBL26508384 0.72 HTR2A (0.65) DRD2DRD3SLC6A4HTR2BHTR2A
SCHEMBL31143224 0.71 ADRA1D (0.57) HTR6KCNH2DRD2DRD4DRD3
SCHEMBL6588459 0.71 MPO (0.55) HTR6KCNH2HTR7SLC6A4HTR1A
SCHEMBL6958541 0.69 SLC6A4 (0.49) DRD2DRD4DRD3HTR7SLC6A4
SCHEMBL11556983 0.69 SLC6A4 (0.51) HTR6KCNH2DRD2DRD4DRD3

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 HTR6 18/4885KCNH2 1191/4885DRD2 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.