SCHEMBL426895

SCHEMBL426895

Cc1cc(OC2CCNCC2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.44
HTR2C P28335 5/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 1/20 0.40
TACR1 P25103 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2B P41595 1/20 0.39
HTR6 P50406 1/20 0.39
SYK P43405 1/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
ACVR1B P36896 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37
KCNH2 Q12809 1/20 0.37
IKBKB O14920 1/20 0.37
BRD4 O60885 1/20 0.36
SOS1 Q07889 1/20 0.36

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
SCHEMBL17321057 0.89 MEN1 (0.43) SLC6A4SLC6A2SLC6A3TACR1MEN1
Hydrochloric Acid SCHEMBL4109112 0.87 HTR2C (0.49) HRH1HTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL429469 0.84 SLC6A4 (0.40) HTR2CSLC6A4SLC6A2SLC6A3HTR2B
SCHEMBL1231137 0.83 HRH1 (0.45) HRH1HTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL6216607 0.83 HRH1 (0.45) HRH1HTR2CSLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL69659 0.82 HTR2C (0.44) HRH1HTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL6128958 0.82 HRH1 (0.44) HRH1HTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL12426535 0.81 MEN1 (0.46) SLC6A4SLC6A2MEN1KMT2ATGFBR1
SCHEMBL23527206 0.80 HRH1 (0.47) HRH1SLC6A4SLC6A2SLC6A3HTR6
SCHEMBL31134008 0.80 HRH1 (0.47) HRH1SLC6A4SLC6A2SLC6A3HTR6

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 HRH1 979/4885HTR2C 783/4885SLC6A4 936/4885

“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.