SCHEMBL4989412

SCHEMBL4989412

CCOC(=O)c1cc(=O)c2cc(OC)cc(N3CCCN(C)CC3)c2o1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.46
HTR1B P28222 3/20 0.45
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
AKR1B1 P15121 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MAOB P27338 1/20 0.40
ATM Q13315 1/20 0.39
SLC2A1 P11166 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4994397 0.96 GPR35 (0.48) GPR35HTR1BKDM4EMEN1KMT2A
SCHEMBL4248701 0.88 GPR35 (0.48) GPR35KDM4EMEN1KMT2AAKR1B1
SCHEMBL4247593 0.88 GPR35 (0.49) GPR35KDM4EMEN1KMT2AAKR1B1
SCHEMBL4988821 0.88 MEN1 (0.46) GPR35HTR1BKDM4EMEN1KMT2A
SCHEMBL4254261 0.87 GPR35 (0.46) GPR35KDM4EMEN1KMT2AAKR1B1
SCHEMBL4988768 0.87 GPR35 (0.48) GPR35HTR1BKDM4EMEN1KMT2A
SCHEMBL4250257 0.87 GPR35 (0.49) GPR35HTR1BKDM4EMEN1KMT2A
SCHEMBL4251118 0.87 GPR35 (0.47) GPR35KDM4EMEN1KMT2AAKR1B1
Hydrochloric Acid SCHEMBL4988853 0.86 GPR35 (0.47) GPR35HTR1BKDM4EMEN1KMT2A
SCHEMBL4995314 0.84 ATM (0.52) GPR35HTR1BKDM4EMEN1KMT2A

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 25 patents — showing the first 20. 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-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20060178372-A1 Therapeutic quinoline compounds ASTRAZENECA AB (SE) 2006-08-10 US disclosed
US-7045514-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2006-05-16 US disclosed
US-7026314-B2 Psychological disorders, antidepressants, anxiolytic agents, eating disorders; serotonin receptors antagonist ASTRAZENECA AB (SE) 2006-04-11 US disclosed
US-20060019947-A1 Therapeutic chromone compounds CHAPDELAINE MARC 2006-01-26 US disclosed
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 US disclosed
US-20050096312-A1 Antiserotonine agents; antidepressants; eating disorders; anxiolytic agents; sleep disorders; gastrointestinal disorders; cardiovascular disorders; muscular disorders; endocrine system diseases; muscular disorders; psychological disorders ASTRAZENECA AB (SE) 2005-05-05 US disclosed
US-20050085457-A1 Therapeutic quinolone compounds with 5-ht-antagonistic properties ASTRAZENECA AB (SE) 2005-04-21 US disclosed
US-20050009818-A1 Therapeutic heterocyclic compounds PIERSON EDWARD (US) 2005-01-13 US disclosed
US-20040082591-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2004-04-29 US disclosed
EP-1353914-A2 THERAPEUTIC CHROMONE COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
WO-2003037872-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
WO-2003037871-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN 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 (9 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 GPR35 113/4885HTR1B 2/4885KDM4E 1536/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A GPR35 326/4885HTR1B 1/4885KDM4E 1274/4885
US-20050085457-A1 Therapeutic quinolone compounds with 5-ht-antagonistic properties HTR1B, HTR1A, HTR1D GPR35 298/4885HTR1B 1/4885KDM4E 674/4885
US-20050009818-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A GPR35 214/4885HTR1B 1/4885KDM4E 1622/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A GPR35 214/4885HTR1B 1/4885KDM4E 1622/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B GPR35 251/4885HTR1B 3/4885KDM4E 1450/4885
US-20040082591-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B GPR35 204/4885HTR1B 3/4885KDM4E 1583/4885
US-20060019947-A1 Therapeutic chromone compounds HTR1B, HTR3B, HTR1A GPR35 696/4885HTR1B 1/4885KDM4E 1678/4885
US-20050096312-A1 Antiserotonine agents; antidepressants; eating disorders; anxiolytic agents; sleep disorders; gastrointestinal disorders; cardiovascular disorders; muscular disorders; endocrine system diseases; muscular disorders; psychological disorders HTR1D, HTR1B, HTR1A GPR35 160/4885HTR1B 2/4885KDM4E 942/4885

“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.