SCHEMBL4989529

SCHEMBL4989529

NC(=O)c1ccc(N2CCN(C(=O)N3CCOCC3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 16/20 0.68
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
LMNA P02545 1/20 0.57
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL4985730 0.87 AKR1C3 (0.64) AKR1C3CYP2C9CYP2C19MAPTLMNA
SCHEMBL1397706 0.87 GSK3B (0.62) MAPTLMNAKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL16209943 0.85 GSK3B (0.60) MAPTLMNAKDM4EALDH1A1HPGD
Bromide SCHEMBL27592745 0.85 GSK3B (0.60) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL4989535 0.84 AKR1C3 (0.71) AKR1C3CYP2C9CYP2C19GAAMAPT
SCHEMBL12082116 0.81 AKR1C3 (1.00) AKR1C3CYP2C9CYP2C19GAAMAPT
SCHEMBL3925732 0.80 AKR1C3 (0.72) AKR1C3GAAKDM4EALDH1A1HPGD
SCHEMBL4985313 0.79 GFER (0.70) CYP2C9CYP2C19GAAMAPTALDH1A1
SCHEMBL2999369 0.78 PHGDH (0.69) AKR1C3MAPTKDM4EALDH1A1HPGD
SCHEMBL17838705 0.78 AKR1C3 (0.71) AKR1C3CYP2C9CYP2C19GAAMAPT

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 27 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
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
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
EP-1353914-A2 THERAPEUTIC CHROMONE 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-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC 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 (6 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 AKR1C3 2623/4885CYP2C9 445/4885CYP2C19 93/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A AKR1C3 3542/4885CYP2C9 714/4885CYP2C19 124/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A AKR1C3 1858/4885CYP2C9 309/4885CYP2C19 65/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B AKR1C3 1996/4885CYP2C9 271/4885CYP2C19 56/4885
US-20060019947-A1 Therapeutic chromone compounds HTR1B, HTR3B, HTR1A AKR1C3 1388/4885CYP2C9 364/4885CYP2C19 66/4885
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 AKR1C3 1655/4885CYP2C9 373/4885CYP2C19 115/4885

“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.