Sugi Predict

Sugi Predict / Compounds / SCHEMBL5994036

SCHEMBL5994036

SCHEMBL5994036

COc1cc(N2CC[C@H](N(C)C)C2)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 7)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 10/20 1.00
▸ MCHR1 Q99705 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SETD2 Q9BYW2 4/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ WDR5 P61964 1/20 0.43
▸ PLA2G7 Q13093 1/20 0.42

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
SCHEMBL14263969 1.00 HTR1B (1.00) HTR1BMCHR1L3MBTL1SETD2NSD2
SCHEMBL14263965 0.85 HTR1B (1.00) HTR1BL3MBTL1PLA2G7
SCHEMBL5347322 0.83 HTR1B (0.71) HTR1BL3MBTL1SETD2PLA2G7
SCHEMBL5352760 0.82 HTR1B (1.00) HTR1BL3MBTL1
SCHEMBL4989481 0.81 HTR1B (0.67) HTR1BMCHR1
SCHEMBL6391176 0.81 HTR1B (0.67) HTR1BMCHR1
SCHEMBL4985393 0.81 HTR1B (0.67) HTR1BMCHR1
SCHEMBL5347014 0.80 HTR1B (1.00) HTR1BL3MBTL1PLA2G7
SCHEMBL14263968 0.79 HTR1B (1.00) HTR1BL3MBTL1PLA2G7
SCHEMBL6992961 0.78 HTR1B (1.00) HTR1BL3MBTL1PLA2G7

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 9 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
US-7026314-B2 Psychological disorders, antidepressants, anxiolytic agents, eating disorders; serotonin receptors antagonist ASTRAZENECA AB (SE) 2006-04-11 — — US disclosed
EP-1451157-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES AstraZeneca AB (SE) 2004-09-01 — — EP disclosed
US-20040087575-A1 Therapeutic chromone compounds SPORT COURT INTERNATIONAL, INC. 2004-05-06 — — US disclosed
US-20040082591-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2004-04-29 — — US disclosed
WO-2003037871-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 — — 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 (3 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 2/4885MCHR1 73/4885L3MBTL1 4168/4885
US-20040087575-A1 Therapeutic chromone compounds HTR1B, HTR1A, HTR3B HTR1B 1/4885MCHR1 41/4885L3MBTL1 4481/4885
US-20040082591-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B HTR1B 3/4885MCHR1 45/4885L3MBTL1 3821/4885

“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.