SCHEMBL4992018

SCHEMBL4992018

O=C(O)c1cc(=O)c2cc(F)cc(N3CCNCC3)c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.45
GPR35 Q9HC97 6/20 0.43
KDR P35968 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
BACE1 P56817 1/20 0.39
BRD4 O60885 2/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CYP1A2 P05177 1/20 0.38
TOP2A P11388 1/20 0.38
CYP2C9 P11712 1/20 0.38
TOP2B Q02880 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CYP2J2 P51589 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4988326 0.86 HTR1B (0.57) HTR1BGPR35ALDH1A1LMNAPIK3CB
Hydrochloric Acid SCHEMBL4988384 0.85 HTR1B (0.56) HTR1BGPR35ALDH1A1LMNAPIK3CB
SCHEMBL4996718 0.82 GPR35 (0.50) GPR35ALDH1A1KDM4E
SCHEMBL14263955 0.77 HTR1B (0.77) HTR1BNPSR1
SCHEMBL5563276 0.74 GPR35 (0.52) GPR35ALDH1A1KDM4EUSP2CSNK2A2
SCHEMBL14370187 0.73 HTR1B (0.86) HTR1BALDH1A1KDM4ELMNAHSD17B10
SCHEMBL19743985 0.73 GPR35 (0.51) GPR35ALDH1A1KDM4EUSP2CSNK2A2
SCHEMBL4990839 0.72 ATM (0.57) HTR1BGPR35KDM4EUSP2PIK3CA
SCHEMBL4996207 0.72 ATM (0.45) HTR1BGPR35ALDH1A1KDM4ELMNA
SCHEMBL19744234 0.72 GPR35 (0.68) GPR35ALDH1A1KDM4EUSP2CSNK2A2

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 26 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
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-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-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
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 (8 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 2/4885GPR35 113/4885KDR 3253/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A HTR1B 1/4885GPR35 326/4885KDR 3688/4885
US-20050085457-A1 Therapeutic quinolone compounds with 5-ht-antagonistic properties HTR1B, HTR1A, HTR1D HTR1B 1/4885GPR35 298/4885KDR 2325/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A HTR1B 1/4885GPR35 214/4885KDR 3198/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B HTR1B 3/4885GPR35 251/4885KDR 3228/4885
US-20040082591-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B HTR1B 3/4885GPR35 204/4885KDR 3219/4885
US-20060019947-A1 Therapeutic chromone compounds HTR1B, HTR3B, HTR1A HTR1B 1/4885GPR35 696/4885KDR 3654/4885
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 HTR1B 2/4885GPR35 160/4885KDR 3343/4885

“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.