SCHEMBL426711

SCHEMBL426711

Cc1cc(OCCCC2CCN(C)CC2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.42
NMT1 P30419 2/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ELOVL1 Q9BW60 3/20 0.36
HRH3 Q9Y5N1 2/20 0.36
QPCT Q16769 1/20 0.36
ACHE P22303 2/20 0.35
NPY1R P25929 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL426645 0.80 HRH4 (0.44) HRH4NMT1CTSLCTSSCTSK
SCHEMBL15114912 0.77 SIGMAR1 (0.47) ELOVL1
SCHEMBL3422680 0.75 HRH4 (0.45) HRH4NMT1CTSLCTSSCTSK
SCHEMBL3423454 0.75 SRC (0.46) HRH4CTSLCTSSCTSK
SCHEMBL15114924 0.72 HRH3 (0.51) HRH4ELOVL1HRH3
SCHEMBL426634 0.72 CTSL (0.41) HRH4NMT1CTSLCTSSCTSK
SCHEMBL426712 0.71 NMT1 (0.40) HRH4NMT1HRH3QPCTACHE
SCHEMBL3425233 0.71 HRH4 (0.42) HRH4NMT1HRH3QPCTACHE
SCHEMBL3424719 0.71 ABL1 (0.51) HRH4NMT1CTSLCTSSCTSK
SCHEMBL3422128 0.71 HRH4 (0.51) HRH4NMT1CTSLCTSSCTSK

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-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 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 HRH4 481/4885NMT1 1456/4885CTSL 3180/4885

“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.