SCHEMBL3893010

SCHEMBL3893010

O=C1c2ccccc2C(=O)N1CCCN1C[C@H]2Cc3ccccc3C[C@H]2C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.58
DRD3 P35462 4/20 0.58
HTR7 P34969 2/20 0.58
HRH1 P35367 1/20 0.58
HTR2B P41595 1/20 0.58
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOB P27338 2/20 0.51
DRD2 P14416 2/20 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
SCHEMBL3886553 1.00 HTR1A (0.58) HTR1ADRD3HTR7HRH1HTR2B
SCHEMBL9035501 0.80 DRD3 (0.50) HTR1ADRD3HTR7HRH1HTR2B
SCHEMBL3962101 0.78 KDM4E (0.60) HTR1ADRD3HTR7HRH1HTR2B
SCHEMBL9035618 0.78 HTR1A (0.58) HTR1ADRD3HTR7KDM4EALDH1A1
SCHEMBL13469510 0.77 HTR1A (0.79) HTR1ADRD3MAOBDRD2
SCHEMBL4351612 0.77 TDP1 (0.66) TDP1
SCHEMBL3961898 0.77 ALDH1A1 (0.59) HTR1ADRD3HTR7HRH1HTR2B
SCHEMBL29574643 0.77 KDM4E (0.59) HTR1ADRD3HTR7HRH1HTR2B
SCHEMBL2245540 0.77 ALDH1A1 (0.55) HTR1ADRD3HTR7HRH1HTR2B
SCHEMBL20358477 0.76 HTR1A (0.80) HTR1ADRD3HTR7HRH1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550500-B2 Bicyclic and tricyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20060014964-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V 2006-01-19 US disclosed
US-6960666-B2 Bicyclic and tricyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 US disclosed
US-20040209876-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V (US) 2004-10-21 US disclosed
US-6784200-B2 SUCH AS N-3-(CIS-2,3,3A,4,9,9A-HEXAHYDRO-1H-BENZ(F)ISOINDOL-2-YL)-N-PROP-1-YL-N'-3 -ACETYLPHENYLUREA FOR PREVENTION OF INFLAMMATORY DISEASES (ASTHMA AND ALLERGIES) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-31 US disclosed
US-20040006084-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V (US) 2004-01-08 US disclosed
US-6586446-B1 Chemotaxic cytokine agonists or antagonists such as N(3-acetylphlenyl)-N'-(-2-((-3-((4-fluorophenyl)methyl)-8 -azabicyclo(3.2.1)oct-8-yl)methyl)-(2R)-1-cyclohexyl)urea, used as antiinflammatory agents for asthma or allergies BRISTOL-MYERS SQUIBB COMPANY 2003-07-01 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 (3 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-20040209876-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR1, CCR3, CCR10 HTR1A 373/4885DRD3 567/4885HTR7 728/4885
US-20040006084-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR1, CCR3, CCR10 HTR1A 373/4885DRD3 567/4885HTR7 728/4885
US-20060014964-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR3, CCR1, NR1I3 HTR1A 533/4885DRD3 665/4885HTR7 616/4885

“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.