SCHEMBL6589464

SCHEMBL6589464

Clc1ccc2[nH]cc(CCN3CCN(C4CCC(Cc5ccccc5)SC4)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.49
KCNH2 Q12809 7/20 0.49
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
HTR1A P08908 4/20 0.44
SLC6A4 P31645 1/20 0.44
HTR7 P34969 1/20 0.43
HTR1D P28221 4/20 0.43
HTR1B P28222 4/20 0.43

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
SCHEMBL6587714 0.93 HTR6 (0.42) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL6591153 0.90 MPO (0.54) HTR6KCNH2HTR1ASLC6A4HTR7
SCHEMBL6591251 0.87 HTR6 (0.50) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL6588961 0.80 HTR6 (0.42) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL893138 0.77 HTR1D (0.56) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL6588459 0.76 MPO (0.55) HTR6KCNH2HTR1ASLC6A4HTR7
SCHEMBL892729 0.75 HTR6 (0.59) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL11785874 0.74 KCNH2 (0.61) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL26508389 0.72 MPO (0.67) HTR1AHTR1DHTR1B
SCHEMBL892983 0.71 HTR6 (0.58) HTR6KCNH2OPRM1OPRK1OPRL1

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 1191/4885OPRM1 41/4885

“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.