SCHEMBL426712

SCHEMBL426712

Cc1ccnc(OCCCC2CCN(C)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 4/20 0.40
HRH4 Q9H3N8 4/20 0.40
NPY1R P25929 2/20 0.39
ACHE P22303 2/20 0.37
ROCK1 Q13464 1/20 0.37
QPCT Q16769 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
SSTR4 P31391 1/20 0.36
LRRK2 Q5S007 1/20 0.36
RXRA P19793 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 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
SCHEMBL427820 0.93 SYK (0.38) NMT1HRH4NPY1RACHEQPCT
SCHEMBL16011707 0.79 HRH4 (0.51) HRH4HRH3GRIN2B
SCHEMBL426645 0.76 HRH4 (0.44) NMT1HRH4NPY1RACHEROCK1
SCHEMBL21715689 0.73 TDP1 (0.49) HRH3
SCHEMBL19004848 0.71 ACACB (0.40) RXRAGRIN1GRIN2B
SCHEMBL426711 0.71 HRH4 (0.42) NMT1HRH4NPY1RACHEQPCT
SCHEMBL18081852 0.71 MAPK8 (0.45) RXRAGRIN1GRIN2B
SCHEMBL24798573 0.70 RXRA (0.40) RXRAGRIN1GRIN2B
SCHEMBL14345363 0.69 MAPK8 (0.43) RXRAGRIN1GRIN2B
SCHEMBL426634 0.69 CTSL (0.41) NMT1HRH4ACHEHRH3

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 3 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-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

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 NMT1 1456/4885HRH4 481/4885NPY1R 3367/4885

“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.