SCHEMBL7533294

SCHEMBL7533294

COC(=O)c1cc(N2CCN(CCc3c[nH]c4ccccc34)CC2)c2cc[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
DRD2 P14416 2/20 0.48
DRD3 P35462 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
HTR2A P28223 1/20 0.48
HTR1A P08908 2/20 0.48
HTR7 P34969 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48

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
Oxalic Acid SCHEMBL27550796 0.97 ADRA2A (0.49) SMYD2HDAC3HDAC1HDAC2HDAC8
SCHEMBL7533937 0.89 NPC1 (0.48) SMYD2DRD2HTR1A
SCHEMBL7532948 0.80 DRD2 (0.66) DRD2DRD3HTR2AHTR1AHTR7
SCHEMBL7538046 0.78 HTR1A (0.46) HTR1A
SCHEMBL7538039 0.78 HTR1A (0.45) HTR1AHTR7
SCHEMBL7532799 0.76 GAA (0.58) DRD2DRD3HTR2AHTR1AHTR7
SCHEMBL7785380 0.75 SLC6A4 (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7531490 0.75 ADRB1 (0.50) MEN1ALDH1A1RAB9AKMT2A
SCHEMBL7532701 0.74 HTR1A (0.72) DRD2HTR1A
SCHEMBL7538747 0.74 DRD2 (0.59) DRD2DRD3HTR2AHTR1AHTR7

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
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
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 SMYD2 2953/4885HDAC3 1189/4885HDAC1 1361/4885

“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.