SCHEMBL6588465

SCHEMBL6588465

Cc1cc2c(c(C3CCN(CCc4c[nH]c5cc(Cl)ccc45)CC3)c1)OC(C)(C)C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.42
KCNH2 Q12809 2/20 0.42
DRD2 P14416 3/20 0.40
SLC6A4 P31645 3/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
DRD4 P21917 2/20 0.37
HTR7 P34969 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
SOS1 Q07889 2/20 0.37
GPR84 Q9NQS5 1/20 0.36
HTR1A P08908 2/20 0.36
MPO P05164 1/20 0.36

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
Fumaric Acid SCHEMBL6783149 0.93 HTR6 (0.41) HTR6KCNH2DRD2SLC6A4OPRM1
Fumaric Acid SCHEMBL6783145 0.93 HTR6 (0.41) HTR6KCNH2DRD2SLC6A4OPRM1
SCHEMBL6592028 0.89 KCNH2 (0.47) HTR6KCNH2DRD2SLC6A4OPRM1
Oxalic Acid SCHEMBL6773000 0.84 KCNH2 (0.48) HTR6KCNH2DRD2SLC6A4OPRM1
SCHEMBL6590553 0.76 DRD2 (0.60) HTR6KCNH2DRD2SLC6A4HTR7
SCHEMBL31143224 0.75 ADRA1D (0.57) HTR6KCNH2DRD2SLC6A4OPRM1
SCHEMBL6589659 0.74 HTR1D (0.45) HTR6DRD2SLC6A4HTR7HTR1A
SCHEMBL27816676 0.73 MPO (0.61) HTR6DRD2SLC6A4HTR2BGPR84
SCHEMBL6588606 0.73 DRD2 (0.64) HTR6KCNH2DRD2SLC6A4DRD3
SCHEMBL6588411 0.71 KCNH2 (0.49) HTR6KCNH2DRD2SLC6A4OPRM1

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 12 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
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
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
EP-1007523-A1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2000-06-14 EP disclosed
WO-1999005140-A1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 1999-02-04 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 (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.