SCHEMBL5450030

SCHEMBL5450030

Oc1ccc2c(c1)CCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.59
ACACB O00763 1/20 0.49
ESR1 P03372 5/20 0.48
ESR2 Q92731 5/20 0.48
LTA4H P09960 1/20 0.47
ABCB1 P08183 5/20 0.45
ABCC1 P33527 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42

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
SCHEMBL12583719 0.92 CA9 (0.57) CA9ACACBESR1ESR2LTA4H
SCHEMBL5802907 0.83 MEN1 (0.50) KDM4EGAAMAPTDRD2
SCHEMBL3054852 0.79 CA9 (0.62) CA9ESR1ESR2LTA4HABCB1
SCHEMBL12151204 0.78 CHKA (0.54) CA9ACACBESR1ESR2ABCB1
SCHEMBL23395349 0.77 ESR2 (0.55) CA9ESR1ESR2LTA4HDRD2
SCHEMBL5451645 0.77 KDM4E (0.43) KDM4EGAAMAPT
SCHEMBL3041525 0.76 CA9 (0.73) CA9ABCB1ABCC1ABCG2KDM4E
SCHEMBL23395285 0.75 ESR2 (0.52) CA9ESR1ESR2DRD2DRD1
SCHEMBL10675304 0.75 ABCB1 (0.62) CA9LTA4HABCB1ABCC1ABCG2
SCHEMBL3061384 0.74 CA9 (0.70) CA9LTA4HABCB1ABCC1ABCG2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738710-B2 Method of treating a patient for pain by administering an anti-ion channel antibody UCB BIOPHARMA SPRL (BE) 2017-08-22 US disclosed
US-20160222107-A1 METHODS OF TREATING PAIN USING FUNCTION MODIFYING NAv1.7 ANTIBODIES UCB BIOPHARMA SPRL (BE) 2016-08-04 US disclosed
US-9266953-B2 Methods of treating pain using function modifying NAv1.7 antibodies UCB BIOPHARMA SPRL (BE) 2016-02-23 US disclosed
US-20150232553-A1 FUNCTION MODIFYING NAv1.7 ANTIBODIES UCB PHARMA S.A. (BE) 2015-08-20 US disclosed
US-20150203571-A1 ANTIBODIES TO ION CHANNELS UCB BIOPHARMA SPRL (BE) 2015-07-23 US disclosed
US-8926977-B2 Antibodies to the E1 extracellular loop of ion channels UCB PHARMA S.A. (BE) 2015-01-06 US disclosed
US-20140342406-A1 DNA ENCODING FUNCTION MODIFYING NAv1.7 ANTIBODIES UCB PHARMA S.A. (BE) 2014-11-20 US disclosed
US-8734798-B2 Function modifying NAv 1.7 antibodies UCB PHARMA S.A. (BE) 2014-05-27 US disclosed
US-20120259096-A1 ANTIBODIES TO ION CHANNELS UCB PHARMA S.A. (BE) 2012-10-11 US disclosed
US-20110135662-A1 FUNCTION MODIFYING NAv 1.7 ANTIBODIES UCB BIOPHARMA SPRL (BE) 2011-06-09 US disclosed
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 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 (7 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-20120259096-A1 ANTIBODIES TO ION CHANNELS SCN1A, KCNAB1, KCNMA1 CA9 4076/4885ACACB 4591/4885ESR1 2581/4885
US-20110135662-A1 FUNCTION MODIFYING NAv 1.7 ANTIBODIES SCN7A, SCN1A, SCN5A CA9 4385/4885ACACB 4302/4885ESR1 4509/4885
US-20150203571-A1 ANTIBODIES TO ION CHANNELS SCN1A, KCNAB1, KCNMA1 CA9 4076/4885ACACB 4591/4885ESR1 2581/4885
US-20160222107-A1 METHODS OF TREATING PAIN USING FUNCTION MODIFYING NAv1.7 ANTIBODIES SCN7A, SCN3A, SCN1A CA9 2940/4885ACACB 4224/4885ESR1 4613/4885
US-20150232553-A1 FUNCTION MODIFYING NAv1.7 ANTIBODIES SCN7A, SCN1A, SCN5A CA9 4176/4885ACACB 4533/4885ESR1 4615/4885
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A CA9 2226/4885ACACB 3033/4885ESR1 4391/4885
US-20140342406-A1 DNA ENCODING FUNCTION MODIFYING NAv1.7 ANTIBODIES SCN7A, SCN1A, SCN8A CA9 4042/4885ACACB 4604/4885ESR1 3989/4885

“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.