SCHEMBL3884950

SCHEMBL3884950

CCOC(=O)C1(Cc2ccccc2F)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ OPRM1 P35372 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CCR5 P51681 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 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
SCHEMBL3885819 0.82 GAA (0.47) MEN1KMT2AKDM4ELMNAGAA
SCHEMBL4222736 0.78 L3MBTL1 (0.64) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL13269560 0.77 OPRM1 (0.53) MEN1KMT2AKDM4ELMNAGAA
SCHEMBL23274854 0.76 CCR5 (0.46) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL23274958 0.74 CCR5 (0.44) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL12283364 0.70 TAS2R14 (0.54) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL1934331 0.70 TAS2R14 (0.54) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL8913963 0.70 POLB (0.59) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL3718479 0.70 KDM4E (0.64) MEN1KMT2AKDM4ELMNAGAA
SCHEMBL6627628 0.70 KDM4E (0.64) MEN1KMT2AKDM4ELMNAGAA

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 MEN1 4366/4885KMT2A 4001/4885KDM4E 4658/4885
US-20040006084-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR1, CCR3, CCR10 MEN1 4366/4885KMT2A 4001/4885KDM4E 4658/4885
US-20060014964-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR3, CCR1, NR1I3 MEN1 4734/4885KMT2A 2520/4885KDM4E 4209/4885

“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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