SCHEMBL3388992

SCHEMBL3388992

CN1CCN(CCOc2ccc(N)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
NOS3 P29474 3/20 0.45
NOS1 P29475 3/20 0.45
NOS2 P35228 3/20 0.45
LMNA P02545 1/20 0.45
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
BMPR1B O00238 2/20 0.43
ACVRL1 P37023 2/20 0.43
ACVR1 Q04771 2/20 0.43
ACVR1B P36896 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL1021170 0.88 LTA4H (0.59) LTA4HMEN1KMT2AMAPTPTGS1
Hydrochloric Acid SCHEMBL1640534 0.86 LTA4H (0.58) LTA4HMEN1KMT2AMAPTPTGS1
SCHEMBL6413519 0.86 LTA4H (0.58) LTA4HPTGS1PTGS2HRH3
SCHEMBL25399700 0.84 LTA4H (0.46) LTA4HMEN1KMT2AMAPTSIGMAR1
SCHEMBL15651242 0.84 LTA4H (0.46) LTA4HMEN1KMT2AMAPTSIGMAR1
SCHEMBL55617 0.84 SIGMAR1 (0.48) LTA4HSIGMAR1
SCHEMBL29769807 0.84 SIGMAR1 (0.48) LTA4HSIGMAR1
SCHEMBL13432217 0.83 KDM1A (0.53) LTA4HMEN1KMT2AMAPTKCNH2
Hydrochloric Acid SCHEMBL16210022 0.82 NPC1 (0.48) LTA4HSIGMAR1
SCHEMBL31436855 0.82 HTR1B (0.53) LTA4HMEN1KMT2AMAPTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 LTA4H 2896/4885MEN1 3297/4885KMT2A 3200/4885

“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.