SCHEMBL3885819

SCHEMBL3885819

CCOC(=O)C1(Cc2ccccc2F)CCC(N)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ POLB P06746 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL13269560 0.82 OPRM1 (0.53) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3884950 0.82 MEN1 (0.46) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4222736 0.77 L3MBTL1 (0.64) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8913963 0.75 POLB (0.59) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL17118064 0.74 SMYD3 (0.38) GAAPOLBKDM4ELMNAMAPK1
SCHEMBL7453823 0.73 ALDH1A1 (0.53) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL28536932 0.71 TAAR1 (0.40) ALDH1A1
SCHEMBL4052580 0.71 OPRL1 (0.44) ALDH1A1KDM4E
SCHEMBL1953270 0.70 SMYD3 (0.35) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL3596622 0.70 OPRM1 (0.53) GAAALDH1A1MEN1KMT2APOLB

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 GAA 3965/4885ALDH1A1 964/4885MEN1 4366/4885
US-20040006084-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR1, CCR3, CCR10 GAA 3965/4885ALDH1A1 964/4885MEN1 4366/4885
US-20060014964-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR3, CCR1, NR1I3 GAA 3904/4885ALDH1A1 1875/4885MEN1 4734/4885

“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.

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