SCHEMBL3424005

SCHEMBL3424005

O=C(O)Cc1cc2cccc(OC(F)(F)F)c2[nH]1.[LiH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
KDM4E B2RXH2 1/20 0.42
FFAR1 O14842 2/20 0.41
IDO1 P14902 1/20 0.40
ADRB3 P13945 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
FLT3 P36888 1/20 0.38
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
RORC P51449 3/20 0.36
KDM4A O75164 1/20 0.36
KDM5A P29375 1/20 0.36
ESR1 P03372 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35

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
Lithium Ion SCHEMBL3424001 0.85 MTNR1A (0.43) MTNR1AMTNR1BKDM4EFFAR1IDO1
SCHEMBL6530547 0.83 HPGD (0.53) KDM4EFFAR1IDO1HRH4FLT3
SCHEMBL11199718 0.82 MTNR1A (0.62) MTNR1AMTNR1BKDM4EIDO1HRH4
SCHEMBL3428192 0.81 HRH4 (0.52) MTNR1AMTNR1BKDM4EFFAR1HRH4
SCHEMBL6518654 0.77 GAA (0.51) MTNR1AMTNR1BKDM4EIDO1HRH4
SCHEMBL4041476 0.76 RAB9A (0.53) KDM4EIDO1HRH4FLT3POLB
SCHEMBL5694491 0.75 GRIN2D (0.51) MTNR1AMTNR1BKDM4EFLT3POLB
SCHEMBL28706901 0.75 GRIN2D (0.44) MTNR1AMTNR1BKDM4EPOLBMEN1
SCHEMBL27568957 0.74 NSD2 (0.54) KDM4EHRH4NPSR1MEN1ALDH1A1
SCHEMBL7785465 0.74 DAO (0.51) KDM4EHRH4KMT2A

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
EP-1620391-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP disclosed
US-7696205-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 US disclosed
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-7291615-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
EP-1620391-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-10-31 EP disclosed
EP-1620391-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-02-01 EP disclosed
US-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
WO-2004098516-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-18 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 (2 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-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 MTNR1A 352/4885MTNR1B 317/4885KDM4E 4656/4885
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 MTNR1A 382/4885MTNR1B 335/4885KDM4E 4697/4885

“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.