SCHEMBL426809

SCHEMBL426809

Cc1ccc(C(F)(F)C(F)(F)F)c(N2CCN(C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.49
HTR1A P08908 2/20 0.43
HTR3A P46098 2/20 0.43
MAPT P10636 4/20 0.42
USP2 O75604 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
PTK2B Q14289 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
HRH4 Q9H3N8 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
SCHEMBL426757 0.82 ADRB2 (0.46) ADRB2HTR1AHTR3AMAPTUSP2
SCHEMBL12017807 0.78 ADRB2 (0.55) ADRB2HTR1AHTR3AMAPTUSP2
SCHEMBL13993849 0.75 HTR1A (0.50) ADRB2HTR1AHTR3AMAPTUSP2
SCHEMBL426815 0.75 NR1H2 (0.50) MAPTALDH1A1RAB9AKDM4EPOLB
SCHEMBL13292998 0.74 MEN1 (0.57) HTR1AHTR3AMAPTUSP2THRB
Ammonia Solution, Strong SCHEMBL3580502 0.73 MEN1 (0.55) HTR1AHTR3AMAPTUSP2ALDH1A1
SCHEMBL16729408 0.72 NOTUM (0.50) ADRB2MAPTTHRBALDH1A1GAA
SCHEMBL426323 0.71 MAPT (0.69) ADRB2HTR1AHTR3AMAPTUSP2
SCHEMBL15597488 0.71 MAPT (0.53) ADRB2HTR1AHTR3AMAPTUSP2
SCHEMBL25720735 0.71 HTR1A (0.48) ADRB2HTR1AHTR3AMAPTUSP2

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 6 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-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

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 ADRB2 203/4885HTR1A 691/4885HTR3A 472/4885

“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.