SCHEMBL7533937

SCHEMBL7533937

COC(=O)c1cc(N2CCN(CCc3c[nH]c4cc(Cl)ccc34)CC2)c2cc[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
DRD2 P14416 1/20 0.46
HTR6 P50406 3/20 0.44
KCNH2 Q12809 3/20 0.44
GOT1 P17174 1/20 0.44
NR4A2 P43354 1/20 0.43
HTR1A P08908 3/20 0.43
SMYD2 Q9NRG4 1/20 0.40

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
SCHEMBL7533294 0.89 SMYD2 (0.50) DRD2HTR1ASMYD2
Oxalic Acid SCHEMBL27550796 0.87 ADRA2A (0.49) DRD2HTR1ASMYD2
SCHEMBL7538010 0.85 DRD2 (0.55) DRD2HTR6KCNH2GOT1HTR1A
SCHEMBL7533617 0.82 DRD2 (0.50) DRD2HTR6KCNH2GOT1HTR1A
SCHEMBL7531437 0.81 DRD2 (0.52) DRD2HTR6KCNH2HTR1A
SCHEMBL7538747 0.80 DRD2 (0.59) DRD2HTR6KCNH2GOT1HTR1A
SCHEMBL7533687 0.79 DRD2 (0.49) DRD2HTR6KCNH2HTR1ASMYD2
SCHEMBL7538046 0.78 HTR1A (0.46) HTR1A
SCHEMBL7787595 0.77 DRD2 (0.47) NPC1DRD2HTR1A
SCHEMBL7538039 0.76 HTR1A (0.45) KCNH2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128272-A1 4,5,6, and 7-indole and indoline derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-09-12 US claimed
US-6391882-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS H. LUNDBECK A/S (DK) 2002-05-21 US claimed
CN-1336925-A 4,5,6 and 7-indole and indoline derivatives, their prepn. and use LUNDBECK & CO AS H (DK) 2002-02-20 CN claimed
EP-1089997-A1 4,5,6 AND 7-INDOLE AND INDOLINE DERIVATIVES, THEIR PREPARATION AND USE H.Lundbeck A/S (DK) 2001-04-11 EP claimed
WO-1999067237-A1 4,5,6 AND 7-INDOLE AND INDOLINE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 1999-12-29 WO claimed
US-20020128272-A1 4,5,6, and 7-indole and indoline derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-09-12 US disclosed
US-6391882-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS H. LUNDBECK A/S (DK) 2002-05-21 US disclosed
CN-1336925-A 4,5,6 and 7-indole and indoline derivatives, their prepn. and use LUNDBECK & CO AS H (DK) 2002-02-20 CN disclosed
EP-1089997-A1 4,5,6 AND 7-INDOLE AND INDOLINE DERIVATIVES, THEIR PREPARATION AND USE H.Lundbeck A/S (DK) 2001-04-11 EP disclosed
WO-1999067237-A1 4,5,6 AND 7-INDOLE AND INDOLINE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 1999-12-29 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-20020128272-A1 4,5,6, and 7-indole and indoline derivatives, their preparation and use HTR2C, HTR1A, HTR7 NPC1 3192/4885DRD2 49/4885HTR6 11/4885

“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.