SCHEMBL6992961

SCHEMBL6992961

COc1cc(N(C)CCCN(C)C)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 10/20 1.00
L3MBTL1 Q9Y468 1/20 0.45
PLA2G7 Q13093 1/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HCRTR1 O43613 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
PDE10A Q9Y233 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL14263968 0.95 HTR1B (1.00) HTR1BL3MBTL1PLA2G7MAPTMEN1
SCHEMBL5347322 0.81 HTR1B (0.71) HTR1BL3MBTL1PLA2G7MAPTMEN1
SCHEMBL14263965 0.79 HTR1B (1.00) HTR1BL3MBTL1PLA2G7MAPTMEN1
SCHEMBL5347014 0.79 HTR1B (1.00) HTR1BL3MBTL1PLA2G7MAPTMEN1
SCHEMBL5994036 0.78 HTR1B (1.00) HTR1BL3MBTL1PLA2G7
SCHEMBL14263969 0.78 HTR1B (1.00) HTR1BL3MBTL1PLA2G7
SCHEMBL4988427 0.76 HTR1B (0.60) HTR1BL3MBTL1PLA2G7MAPTMEN1
SCHEMBL5352760 0.76 HTR1B (1.00) HTR1BL3MBTL1
SCHEMBL4987195 0.70 HTR1B (0.59) HTR1BL3MBTL1PLA2G7MEN1KMT2A
SCHEMBL14263964 0.70 HTR1B (0.79) HTR1BL3MBTL1MAPTMEN1KMT2A

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-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
EP-1353914-A2 THERAPEUTIC CHROMONE COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 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-20080076759-A1 Therapeutic Heterocyclic Compounds 507 HTR1A, HTR1B, HTR1D HTR1B 2/4885L3MBTL1 4168/4885PLA2G7 1628/4885

“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.