SCHEMBL428288

SCHEMBL428288

Cc1cc(OCC2CNC2)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
SLC6A2 P23975 2/20 0.40
LMNA P02545 1/20 0.40
MAOA P21397 1/20 0.40
RBP4 P02753 1/20 0.39
F2 P00734 2/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
TACR1 P25103 1/20 0.36
SOD1 P00441 1/20 0.35
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL16729424 0.86 F2 (0.43) SLC6A2LMNAMAOARBP4F2
SCHEMBL428011 0.86 TDP1 (0.48) SLC6A2RBP4F2TACR1SLC6A4
SCHEMBL15945458 0.81 RBP4 (0.43) SLC6A2LMNAMAOARBP4F2
SCHEMBL13454166 0.79 RBP4 (0.39) SLC6A2LMNAMAOARBP4F2
SCHEMBL2299216 0.78 KMT2A (0.59) SLC6A2KMT2AATMSLC6A4SLC6A3
SCHEMBL429469 0.77 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL28735386 0.77 BRAF (0.40) BRAFKDRKMT2AATMSOD1
SCHEMBL29658318 0.77 BRAF (0.40) BRAFKDRKMT2AATMSOD1
SCHEMBL21618381 0.76 LTA4H (0.50) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL464554 0.75 LTA4H (0.56)

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-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP 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 (1 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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO BRAF 911/4885KDR 8/4885SLC6A2 646/4885

“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.