SCHEMBL4990839

SCHEMBL4990839

Cc1cc(N2CCN(C)CC2)c2oc(C(=O)O)cc(=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
CDK2 P24941 3/20 0.51
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
GPR35 Q9HC97 6/20 0.45
KDM4E B2RXH2 1/20 0.44
HTR1B P28222 1/20 0.44
MAPT P10636 2/20 0.41
THRB P10828 2/20 0.41
USP2 O75604 1/20 0.41
PIK3CA P42336 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
Hydrochloric Acid SCHEMBL4985151 0.99 ATM (0.56) ATMCDK2KMT2AMEN1GPR35
SCHEMBL4996207 0.87 ATM (0.45) ATMCDK2KMT2AMEN1GPR35
SCHEMBL4988326 0.86 HTR1B (0.57) ATMCDK2KMT2AMEN1GPR35
SCHEMBL4985772 0.86 GPR35 (0.50) ATMCDK2GPR35HTR1B
Hydrochloric Acid SCHEMBL4985854 0.85 GPR35 (0.49) ATMCDK2GPR35HTR1B
Hydrochloric Acid SCHEMBL4988384 0.85 HTR1B (0.56) ATMCDK2KMT2AMEN1GPR35
SCHEMBL4995314 0.84 ATM (0.52) ATMCDK2KMT2AMEN1GPR35
SCHEMBL4985501 0.84 GPR35 (0.52) ATMKMT2AMEN1GPR35KDM4E
SCHEMBL4994772 0.84 GPR35 (0.52) ATMKMT2AMEN1GPR35KDM4E
Hydrochloric Acid SCHEMBL4982799 0.83 GPR35 (0.51) ATMKMT2AMEN1GPR35KDM4E

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 US claimed
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 US claimed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US claimed
CN-1821236-B Therapeutic heterocyclic compounds ASTRAZENECA AB 2010-06-23 CN disclosed
CN-100509794-C Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2009-07-08 CN disclosed
CN-100460402-C Therapeutic benzopyranone compounds used as intermediates. ASTRAZENECA AB (SE) 2009-02-11 CN disclosed
CN-100384833-C Therapeutic chroman compounds ASTRAZENECA AB (SE) 2008-04-30 CN disclosed
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-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
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-2003037871-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
WO-2003037872-A1 THERAPEUTIC QUINOLINE 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 (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 ATM 613/4885CDK2 2415/4885KMT2A 2073/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A ATM 814/4885CDK2 2265/4885KMT2A 1315/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B ATM 934/4885CDK2 2458/4885KMT2A 1265/4885

“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.