SCHEMBL426645

SCHEMBL426645

Cc1ccnc(OCCCC2CCN(C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.44
NMT1 P30419 1/20 0.42
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 2/20 0.37
ROCK1 Q13464 1/20 0.37
QPCT Q16769 1/20 0.37
FAAH O00519 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
NPY1R P25929 1/20 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
SCHEMBL426634 0.93 CTSL (0.41) HRH4NMT1CCR1CCR5CCR8
SCHEMBL26157152 0.86 TLR9 (0.39) HRH4ACHECTSLCTSSCTSK
SCHEMBL427054 0.85 HRH3 (0.44) CCR1CCR5CCR8NOS3NOS1
SCHEMBL16453463 0.81 CRHR1 (0.43) CCR1CCR5CCR8NPC1RAB9A
SCHEMBL426711 0.80 HRH4 (0.42) HRH4NMT1ACHEQPCTNPY1R
SCHEMBL1627975 0.79 HRH4 (0.43) HRH4NMT1ACHEROCK1QPCT
SCHEMBL1626586 0.79 HRH4 (0.43) HRH4NMT1CTSLCTSSCTSK
SCHEMBL16453522 0.79 MEN1 (0.48) CCR1CCR5CCR8NPC1RAB9A
SCHEMBL16453456 0.77 NPC1 (0.50) NPC1RAB9AMEN1TP53TSHR
SCHEMBL450035 0.76 CTSS (0.41) HRH4NMT1ACHEQPCTCTSL

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 7 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-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 1456/4885CCR1 747/4885

“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.