SCHEMBL4784832

SCHEMBL4784832

COc1ccc(CNC(=O)/C=C/c2ccc3[nH]cc(CCN(C)C)c3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 1.00
HTR1A P08908 3/20 1.00
HTR1B P28222 3/20 1.00
CYP1A2 P05177 2/20 1.00
KDM4E B2RXH2 1/20 1.00
TP53 P04637 1/20 1.00
CYP3A4 P08684 1/20 1.00
TSHR P16473 1/20 1.00
ALDH1A1 P00352 1/20 1.00
LMNA P02545 1/20 1.00
PMP22 Q01453 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
HDAC3 O15379 5/20 0.61
HDAC6 Q9UBN7 5/20 0.61
HDAC1 Q13547 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC4 P56524 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC10 Q969S8 1/20 0.61

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
SCHEMBL4784837 1.00 HTR1D (1.00) HTR1DHTR1AHTR1BCYP1A2KDM4E
SCHEMBL30058389 1.00 HTR1D (1.00) HTR1DHTR1AHTR1BCYP1A2KDM4E
SCHEMBL4785846 0.95 CYP3A4 (0.90) HTR1DHTR1AHTR1BCYP1A2KDM4E
SCHEMBL4785841 0.95 CYP3A4 (0.90) HTR1DHTR1AHTR1BCYP1A2KDM4E
SCHEMBL4787569 0.92 CYP1A2 (0.85) HTR1DHTR1AHTR1BCYP1A2KDM4E
SCHEMBL4787574 0.92 CYP1A2 (0.85) HTR1DHTR1AHTR1BCYP1A2KDM4E
SCHEMBL4787970 0.91 CYP3A4 (0.83) HTR1DHTR1AHTR1BCYP1A2KDM4E
SCHEMBL4787979 0.91 CYP3A4 (0.83) HTR1DHTR1AHTR1BCYP1A2KDM4E
SCHEMBL18622645 0.90 HTR1A (0.81) HTR1DHTR1AHTR1BCYP1A2KDM4E
SCHEMBL4784967 0.89 HTR1A (0.80) HTR1DHTR1AHTR1BCYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220193082-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY ZOGENIX INTERNATIONAL LIMITED (GB) 2022-06-23 US claimed
US-20170071949-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY ZOGENIX INTERNATIONAL LIMITED (GB) 2017-03-16 US claimed
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-04-14 US claimed
US-12551481-B2 Molecular targets for addiction THE JACKSON LABORATORY (US) 2026-02-17 US disclosed
EP-4673443-A1 METHODS AND COMPOSITIONS FOR TREATING COCAINE ADDICTION The Jackson Laboratory (US) 2026-01-07 EP disclosed
WO-2024182590-A1 METHODS AND COMPOSITIONS FOR TREATING COCAINE ADDICTION THE JACKSON LABORATORY (US) 2024-09-06 WO disclosed
US-20230057844-A1 MOLECULAR TARGETS FOR ADDICTION THE JACKSON LABORATORY (US) 2023-02-23 US disclosed
US-11478476-B2 Use of buspirone metabolites CONTERA PHARMA APS (DK) 2022-10-25 US disclosed
US-20220244263-A1 METHODS FOR TREATING SMALL CELL NEUROENDOCRINE AND RELATED CANCERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-08-04 US disclosed
US-20220193082-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY ZOGENIX INTERNATIONAL LIMITED (GB) 2022-06-23 US disclosed
US-20220193082-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY ZOGENIX INTERNATIONAL LIMITED (GB) 2022-06-23 US disclosed
WO-2008118445-A9 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS PROMEGA CORP (US) 2008-12-04 WO disclosed
WO-2008118445-A9 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS PROMEGA CORP (US) 2008-12-04 WO disclosed
US-20080248511-A1 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS PROMEGA CORPORATION 2008-10-09 US disclosed
US-20080248511-A1 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS PROMEGA CORPORATION 2008-10-09 US disclosed
US-20080248511-A1 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS PROMEGA CORPORATION 2008-10-09 US disclosed
WO-2008118445-A1 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS PROMEGA CORPORATION (US) 2008-10-02 WO disclosed
WO-2008118445-A1 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS PROMEGA CORPORATION (US) 2008-10-02 WO disclosed
US-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia PHARMACIA CORPORATION 2005-04-21 US disclosed
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-04-14 US 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-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia TPH2, TPH1, HTR2A HTR1D 35/4885HTR1A 4/4885HTR1B 6/4885
US-20080248511-A1 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS GLO1, ESD, GLB1 HTR1D 3214/4885HTR1A 2628/4885HTR1B 2708/4885
US-20220193082-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY HTR2B, HTR3B, HTR5A HTR1D 14/4885HTR1A 6/4885HTR1B 4/4885
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage TPH2, TPH1, HTR2A HTR1D 46/4885HTR1A 6/4885HTR1B 13/4885
US-12551481-B2 Molecular targets for addiction HTR1D, HTR2A, HTR1A HTR1D 1/4885HTR1A 3/4885HTR1B 8/4885
US-20170071949-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY HTR2B, HTR3B, HTR5A HTR1D 14/4885HTR1A 6/4885HTR1B 4/4885

“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.