SCHEMBL426937

SCHEMBL426937

Cc1cc(CC2CCN(C)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
SLC6A4 P31645 4/20 0.38
SLC6A2 P23975 2/20 0.38
TACR1 P25103 4/20 0.37
ALDH1A1 P00352 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GALR3 O60755 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
MAPK14 Q16539 1/20 0.35
CARM1 Q86X55 2/20 0.35
PRMT6 Q96LA8 2/20 0.35
NR1D2 Q14995 1/20 0.35
CCR5 P51681 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
SCHEMBL12960907 0.91 TACR1 (0.41) SLC6A4SLC6A2TACR1ALDH1A1HRH4
SCHEMBL16727182 0.88 FFAR4 (0.38) FFAR4SLC6A4TACR1
SCHEMBL449503 0.84 RPS6KB1 (0.39) SLC6A4SLC6A2TACR1ALDH1A1HRH4
SCHEMBL25802937 0.82 HTR1A (0.43) SLC6A4
SCHEMBL11986976 0.79 ALDH1A1 (0.51) SLC6A4SLC6A2ALDH1A1SLC6A3GALR3
SCHEMBL12677062 0.78 SLC6A2 (0.53) SLC6A4SLC6A2ALDH1A1HTR2AHTR2C
SCHEMBL5423177 0.77 CXCR3 (0.47) ALDH1A1
SCHEMBL15787248 0.76 IDO1 (0.35) FFAR4SLC6A4TACR1HTR2AHTR2C
SCHEMBL15787450 0.76 IDO1 (0.35) FFAR4SLC6A4TACR1HTR2AHTR2C
SCHEMBL15787235 0.76 IDO1 (0.35) FFAR4SLC6A4TACR1HTR2AHTR2C

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
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-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-06 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 (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-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD FFAR4 3349/4885SLC6A4 571/4885SLC6A2 778/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO FFAR4 1025/4885SLC6A4 936/4885SLC6A2 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.