SCHEMBL3921100

SCHEMBL3921100

O=C(O)CCC1CN(C(=O)Nc2ccccc2)CCN1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
FAAH O00519 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL4099646 0.84 P2RY12 (0.46) POLBNPC1TP53RAB9ASMN1; SMN2
SCHEMBL5193648 0.82 POLB (0.53) POLBNPC1TP53RAB9ASMN1; SMN2
SCHEMBL7890248 0.79 POLB (0.66) POLBNPC1TP53RAB9ASMN1; SMN2
SCHEMBL5193941 0.75 POLB (0.57) POLBNPC1TP53RAB9ASMN1; SMN2
SCHEMBL4294740 0.74 MAN1B1 (0.43) POLBCXCR4CCR3
SCHEMBL14774969 0.74 NAMPT (0.46) FAAHMAPT
SCHEMBL14774970 0.74 NAMPT (0.46) FAAHMAPT
SCHEMBL5191220 0.74 FAAH (0.51) POLBNPC1TP53RAB9ASMN1; SMN2
SCHEMBL656655 0.72 POLB (0.97) POLBNPC1TP53RAB9ASMN1; SMN2
SCHEMBL5194091 0.72 FAAH (0.53) NPC1RAB9ASMN1; SMN2FAAHGRIN2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186876-A1 Pyridine Analogues II ASTRAZENECA AB (SE) 2009-07-23 US disclosed
EP-2041111-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2009-04-01 EP disclosed
WO-2008002247-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20070244088-A1 New Pyridine Analogues II ASTRAZENECA AB (SE) 2007-10-18 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 (2 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-20070244088-A1 New Pyridine Analogues II P2RY12, P2RY1, P2RY11 POLB 3818/4885NPC1 4090/4885TP53 4802/4885
US-20090186876-A1 Pyridine Analogues II P2RY12, P2RY11, P2RY6 POLB 3106/4885NPC1 3523/4885TP53 4716/4885

“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.