SCHEMBL429469

SCHEMBL429469

Cc1cc(OC2CNC2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.40
SLC6A2 P23975 3/20 0.40
HTR2C P28335 6/20 0.40
HTR2B P41595 6/20 0.40
HTR2A P28223 1/20 0.40
SLC6A3 Q01959 2/20 0.39
HTR6 P50406 2/20 0.37

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 0.85 MEN1 (0.43) SLC6A4SLC6A2SLC6A3
SCHEMBL426895 0.84 HRH1 (0.44) SLC6A4SLC6A2HTR2CHTR2BSLC6A3
SCHEMBL23898253 0.82 SLC6A4 (0.41) SLC6A4SLC6A2HTR2CHTR2BHTR2A
SCHEMBL26394117 0.81 SLC6A4 (0.46) SLC6A4SLC6A2HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL72150 0.81 SLC6A4 (0.40) SLC6A4SLC6A2HTR2CHTR2BHTR2A
SCHEMBL428288 0.77 BRAF (0.41) SLC6A4SLC6A2SLC6A3
SCHEMBL12426535 0.77 MEN1 (0.46) SLC6A4SLC6A2
SCHEMBL911385 0.77 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL911386 0.77 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL83664 0.75 SLC6A4 (0.64) SLC6A4SLC6A2HTR2CHTR2BHTR2A

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 9 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
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 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 SLC6A4 936/4885SLC6A2 646/4885HTR2C 783/4885

“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.