SCHEMBL4989481

SCHEMBL4989481

COc1cc(N2CC[C@@H](N(C)C)C2)c2[nH]c(C(=O)O)cc(=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 6/20 0.67
GPR35 Q9HC97 1/20 0.40
MCHR1 Q99705 6/20 0.36
PDE1B Q01064 1/20 0.36
ACHE P22303 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4985393 1.00 HTR1B (0.67) HTR1BGPR35MCHR1PDE1BACHE
SCHEMBL6391176 1.00 HTR1B (0.67) HTR1BGPR35MCHR1PDE1BACHE
SCHEMBL5994036 0.81 HTR1B (1.00) HTR1BMCHR1
SCHEMBL14263969 0.81 HTR1B (1.00) HTR1BMCHR1
SCHEMBL4988681 0.80 HTR1B (0.63) HTR1BGPR35PDE1BKDM4EHPGD
SCHEMBL4990154 0.77 HTR1B (0.43) HTR1BGPR35MCHR1PDE1BACHE
SCHEMBL4989817 0.76 HTR1B (0.65) HTR1BGPR35KDM4EHPGD
SCHEMBL4985861 0.72 HTR1B (0.68) HTR1BGPR35PDE1BACHEMAOA
SCHEMBL4990158 0.70 GPR35 (0.56) GPR35PDE1BKDM4EHPGDKMT2A
SCHEMBL4987195 0.67 HTR1B (0.59) HTR1BGPR35PDE1BKDM4EHPGD

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 17 patents. 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-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 US disclosed
US-20040110745-A1 Therapeutic chroman compounds INTEL CORPORATION 2004-06-10 US disclosed
US-20040087575-A1 Therapeutic chromone compounds SPORT COURT INTERNATIONAL, INC. 2004-05-06 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
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US 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 (11 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 113/4885MCHR1 73/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A HTR1B 1/4885GPR35 326/4885MCHR1 79/4885
US-20040087575-A1 Therapeutic chromone compounds HTR1B, HTR1A, HTR3B HTR1B 1/4885GPR35 634/4885MCHR1 41/4885
US-20050085457-A1 Therapeutic quinolone compounds with 5-ht-antagonistic properties HTR1B, HTR1A, HTR1D HTR1B 1/4885GPR35 298/4885MCHR1 80/4885
US-20050009818-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A HTR1B 1/4885GPR35 214/4885MCHR1 52/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A HTR1B 1/4885GPR35 214/4885MCHR1 52/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B HTR1B 3/4885GPR35 251/4885MCHR1 36/4885
US-20040082591-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B HTR1B 3/4885GPR35 204/4885MCHR1 45/4885
US-20060019947-A1 Therapeutic chromone compounds HTR1B, HTR3B, HTR1A HTR1B 1/4885GPR35 696/4885MCHR1 51/4885
US-20040110745-A1 Therapeutic chroman compounds HTR1A, ACHE, CALCA HTR1B 29/4885GPR35 444/4885MCHR1 72/4885
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 160/4885MCHR1 86/4885

“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.