SCHEMBL428036

SCHEMBL428036

Cc1cc(CCCN2CCCCC2)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
HRH1 P35367 1/20 0.50
HRH3 Q9Y5N1 5/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
DRD2 P14416 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LTA4H P09960 1/20 0.43
CCR2 P41597 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
KCNH2 Q12809 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
SCHEMBL10104477 0.91 HRH3 (0.53) SIGMAR1HRH1HRH3KDM4EALDH1A1
SCHEMBL428020 0.86 SIGMAR1 (0.53) SIGMAR1ALDH1A1CTSKKCNH2
SCHEMBL445944 0.83 SIGMAR1 (0.48) SIGMAR1HRH1HRH3KDM4EALDH1A1
SCHEMBL13960087 0.82 ALDH1A1 (0.60) HRH3KDM4EALDH1A1GAA
SCHEMBL10104420 0.80 ALDH1A1 (0.58) KDM4EALDH1A1GAA
SCHEMBL7111066 0.78 HRH3 (0.47) SIGMAR1HRH1HRH3KDM4EALDH1A1
SCHEMBL447181 0.77 HRH3 (0.47) SIGMAR1HRH3KDM4EALDH1A1CCR2
SCHEMBL24565989 0.77 ALDH1A1 (0.54) KDM4EALDH1A1GAA
SCHEMBL7058305 0.77 SIGMAR1 (0.48) SIGMAR1HRH1HRH3KDM4EALDH1A1
SCHEMBL16024760 0.77 SLC6A3 (0.66) SIGMAR1KDM4EALDH1A1DRD2SLC6A4

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
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP 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 SIGMAR1 1841/4885HRH1 979/4885HRH3 452/4885

“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.