SCHEMBL3887869

SCHEMBL3887869

c1ccc2c(c1)C[C@H]1CNC[C@H]1C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR2C P28335 5/20 0.41
IDO1 P14902 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
HTR2A P28223 3/20 0.40
HTR2B P41595 3/20 0.40
CCR5 P51681 1/20 0.40
SLC6A4 P31645 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
SCHEMBL3886033 1.00 BPTF (0.45) BPTFCHRNB2CHRNA4HTR2CIDO1
SCHEMBL3886029 1.00 BPTF (0.45) BPTFCHRNB2CHRNA4HTR2CIDO1
SCHEMBL3886031 1.00 BPTF (0.45) BPTFCHRNB2CHRNA4HTR2CIDO1
SCHEMBL8260985 0.86 HTR2A (0.43) BPTFCHRNB2CHRNA4HTR2CHTR2A
SCHEMBL3886540 0.84 ADRA2A (0.39) HTR2CHTR2AHTR2B
SCHEMBL19655684 0.78 PRCP (0.39)
SCHEMBL9278829 0.78 HTR2C (0.59) CHRNB2CHRNA4HTR2CCHRNB4CHRNA3
SCHEMBL1897659 0.78 HTR2C (0.59) CHRNB2CHRNA4HTR2CCHRNB4CHRNA3
Hydrochloric Acid SCHEMBL9672275 0.77 HTR2C (0.57) CHRNB2CHRNA4HTR2CCHRNB4CHRNA3
SCHEMBL3019601 0.77 BPTF (0.48) BPTFCHRNB2CHRNA4HTR2CCHRNB4

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 BPTF 958/4885CHRNB2 344/4885CHRNA4 251/4885
US-20040006084-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR1, CCR3, CCR10 BPTF 958/4885CHRNB2 344/4885CHRNA4 251/4885
US-20060014964-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR3, CCR1, NR1I3 BPTF 912/4885CHRNB2 506/4885CHRNA4 306/4885

“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.