SCHEMBL4996207

SCHEMBL4996207

CN1CCN(c2cc(O)cc3c(=O)cc(C(=O)O)oc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
HTR1B P28222 1/20 0.44
GPR35 Q9HC97 8/20 0.42
AKR1B1 P15121 1/20 0.42
CDK2 P24941 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CCR4 P51679 2/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
CSNK2A2 P19784 1/20 0.38
PTGS1 P23219 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL4990839 0.87 ATM (0.57) ATMHTR1BGPR35CDK2MEN1
Hydrochloric Acid SCHEMBL4985151 0.86 ATM (0.56) ATMHTR1BGPR35CDK2MEN1
SCHEMBL4988326 0.86 HTR1B (0.57) ATMHTR1BGPR35CDK2MEN1
SCHEMBL4985772 0.86 GPR35 (0.50) ATMHTR1BGPR35CDK2ALDH1A1
Hydrochloric Acid SCHEMBL4988384 0.85 HTR1B (0.56) ATMHTR1BGPR35CDK2MEN1
Hydrochloric Acid SCHEMBL4985854 0.85 GPR35 (0.49) ATMHTR1BGPR35CDK2ALDH1A1
SCHEMBL4985501 0.84 GPR35 (0.52) ATMHTR1BGPR35MEN1KMT2A
SCHEMBL4994772 0.84 GPR35 (0.52) ATMHTR1BGPR35MEN1KMT2A
SCHEMBL6776245 0.83 HTR1B (0.46) ATMHTR1BGPR35CDK2MEN1
Hydrochloric Acid SCHEMBL4982799 0.83 GPR35 (0.51) ATMHTR1BGPR35MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 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-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
CN-1821236-A Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2006-08-23 CN 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-20040082591-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2004-04-29 US disclosed
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353914-A2 THERAPEUTIC CHROMONE 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 (4 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 613/4885HTR1B 2/4885GPR35 113/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A ATM 724/4885HTR1B 1/4885GPR35 326/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B ATM 934/4885HTR1B 3/4885GPR35 251/4885
US-20040082591-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B ATM 865/4885HTR1B 3/4885GPR35 204/4885

“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.