SCHEMBL2832384

SCHEMBL2832384

N#CC1(c2ccc(OC(F)(F)F)cc2)CCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SLC6A4 P31645 10/20 0.50
SLC6A3 Q01959 8/20 0.50
SLC6A2 P23975 1/20 0.50
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
SCD O00767 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL3518597 0.98 MEN1 (0.53) MEN1KMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL624690 0.97 MEN1 (0.54) MEN1KMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL2537204 0.93 MEN1 (0.56) MEN1KMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL625603 0.86 MEN1 (0.51) MEN1KMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL19627312 0.86 MEN1 (0.51) MEN1KMT2ASLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL28122539 0.84 MEN1 (0.50) MEN1KMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL2291542 0.84 MEN1 (0.53) MEN1KMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL21820677 0.83 SLC6A2 (0.51) MEN1KMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL22816489 0.83 SLC6A4 (0.59) MEN1KMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL22816520 0.82 MEN1 (0.48) MEN1KMT2ASLC6A4SLC6A3SLC6A2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748612-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-10 US disclosed
US-8748612-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-10 US disclosed
US-8748612-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-10 US disclosed
EP-2201010-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2013-11-06 EP disclosed
EP-2201010-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2013-11-06 EP disclosed
US-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2013-07-11 US disclosed
US-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2013-07-11 US disclosed
US-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2013-07-11 US disclosed
US-8410132-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 US disclosed
US-8410132-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 US disclosed
US-20130018070-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 US disclosed
US-8188283-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188283-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188283-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-14 US disclosed
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-14 US disclosed
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-14 US disclosed
EP-2201010-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2010-06-30 EP disclosed
WO-2009036412-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-19 WO disclosed
WO-2009036412-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-19 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 (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-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 MEN1 4750/4885KMT2A 4440/4885SLC6A4 1048/4885
US-20130018070-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 MEN1 4750/4885KMT2A 4440/4885SLC6A4 1048/4885
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, ABCB1, ABCC1 MEN1 4750/4885KMT2A 4440/4885SLC6A4 1048/4885

“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.