SCHEMBL3424865

SCHEMBL3424865

CC(C)(C)OC(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.76
LMNA P02545 1/20 0.76
RXFP1 Q9HBX9 1/20 0.54
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 3/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
TSHR P16473 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
HTT P42858 1/20 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
SCHEMBL10252993 0.87 POLB (0.58) POLBLMNARXFP1GAAKMT2A
SCHEMBL440957 0.86 LMNA (0.59) POLBLMNARXFP1SMN1; SMN2GAA
SCHEMBL12822326 0.86 POLB (0.66) POLBLMNASMN1; SMN2GAAHPGD
SCHEMBL30681299 0.85 POLB (0.58) POLBLMNARXFP1MAPK1SMN1; SMN2
SCHEMBL5802951 0.85 LMNA (0.58) POLBLMNARXFP1MAPK1HPGD
SCHEMBL514342 0.85 POLB (0.60) POLBLMNAMAPK1SMN1; SMN2GAA
SCHEMBL4371784 0.84 POLB (0.72) POLBLMNARXFP1MAPK1SMN1; SMN2
SCHEMBL2880191 0.84 LMNA (0.54) POLBLMNARXFP1SMN1; SMN2GAA
SCHEMBL21391991 0.82 LMNA (0.58) POLBLMNARXFP1SMN1; SMN2ALDH1A1
SCHEMBL6372217 0.80 LMNA (0.53) POLBLMNARXFP1

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 14 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-7618980-B2 Pyrrolo(oxo)quinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-17 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-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 US 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
EP-0747354-B1 3-Substituted oxindole derivatives as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 2000-08-16 EP disclosed
US-5602169-A USEFUL IN REDUCING NEURONAL DAMAGE DURING ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-02-11 US disclosed
EP-0747354-A1 3-Substituted oxindole derivatives as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed
US-5565483-A ADMINISTERING AS THERAPY FOR ISCHEMIA, CONVULSIONS OR ASTHMA BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 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-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 POLB 1862/4885LMNA 4309/4885RXFP1 74/4885
US-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, HTR3B, HTR2C, HTR2B POLB 2465/4885LMNA 3641/4885RXFP1 362/4885
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 POLB 1837/4885LMNA 4353/4885RXFP1 80/4885

“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.