SCHEMBL427400

SCHEMBL427400

Cc1ccc(N)cc1CCCN(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
NOS1 P29475 5/20 0.42
NOS3 P29474 3/20 0.42
NOS2 P35228 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CASP1 P29466 2/20 0.41
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A4 P31645 5/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL14875929 0.84 NOS1 (0.40) NOS1NOS3NOS2SLC6A4
SCHEMBL5190941 0.81 PRKCI (0.54) NOS1NOS3NOS2ALDH1A1CYP3A4
SCHEMBL8590051 0.81 SLC6A4 (0.43) NOS1NOS3NOS2SLC6A4
SCHEMBL19392511 0.79 SKP2 (0.47) TAAR1NOS2ALDH1A1CASP1CYP3A4
SCHEMBL2176041 0.79 ALDH1A1 (0.50) TAAR1ALDH1A1CASP1CYP3A4TSHR
SCHEMBL5160883 0.79 NOS1 (0.42) NOS1NOS3NOS2SLC6A4
SCHEMBL13511895 0.79 MPO (0.55) TAAR1NOS1NOS3NOS2SLC6A4
SCHEMBL6498411 0.78 NOS1 (0.52) TAAR1NOS1TSHRSLC6A4MAPK1
SCHEMBL12005806 0.78 NOS1 (0.36) NOS1NOS3NOS2SLC6A4
SCHEMBL28156915 0.78 TAAR1 (0.46) TAAR1ALDH1A1CASP1CYP3A4TSHR

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-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 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-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US 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 (3 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-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO TAAR1 541/4885NOS1 216/4885NOS3 108/4885
US-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS TAAR1 4488/4885NOS1 444/4885NOS3 240/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO TAAR1 541/4885NOS1 216/4885NOS3 108/4885

“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.