SCHEMBL6580557

SCHEMBL6580557

c1cc2ccc(N3CCNCC3)cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.59
HTR3B O95264 4/20 0.59
HTR3A P46098 4/20 0.59
HTR3D Q70Z44 4/20 0.59
HTR3C Q8WXA8 4/20 0.59
SIGMAR1 Q99720 4/20 0.59
HTR5A P47898 1/20 0.59
ADRB1 P08588 9/20 0.51
HTR1A P08908 3/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR6 P50406 2/20 0.46
HTR7 P34969 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL29979524 1.00 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1537900 0.88 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
Propionic Acid SCHEMBL6610077 0.86 ALDH1A1 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3342144 0.85 TERT (0.52) HTTAHRCMA1TYR
Tert-Butyl Formate SCHEMBL28781853 0.84 HTR1A (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5382950 0.84 TERT (0.53) HTTAHRCMA1TYR
SCHEMBL444108 0.82 GHSR (0.52) TP53CYP1A2HTTAHRCMA1
SCHEMBL5097444 0.81 HTR3A (0.57) HTR3AHTT
SCHEMBL9396666 0.79 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7291426 0.79 ALDH1A1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-04-20 US disclosed
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-04-20 US disclosed
CN-115151304-A Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2022-10-04 CN disclosed
WO-2021161230-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2021-08-19 WO disclosed
US-20120220604-A1 PIPERAZINYL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2012-08-30 US disclosed
EP-1299380-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2004-06-09 EP disclosed
EP-1299384-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2004-03-24 EP disclosed
US-20030232822-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DE) 2003-12-18 US disclosed
CN-1446216-A Indole derivatives for the treatment of CNS disorders LUNDEBECK AS H (DK) 2003-10-01 CN disclosed
US-20030162792-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-08-28 US disclosed
CN-1439004-A Indole derivatives for the treatment of central nervous system disorders LUNDBECK & CO AS H (DK) 2003-08-27 CN disclosed
EP-1299380-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-04-09 EP disclosed
EP-1299384-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. Lundbeck A/S (DK) 2003-04-09 EP disclosed
WO-2002000645-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2002-01-03 WO disclosed
WO-2001098298-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2001-12-27 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-20120220604-A1 PIPERAZINYL-ALKYL-BENZOIMIDAZOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 HTR3E 121/4885HTR3B 35/4885HTR3A 36/4885
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS STING1, CGAS, MAVS HTR3E 1935/4885HTR3B 1454/4885HTR3A 3131/4885
US-20030162792-A1 Indole derivatives useful for the treatment of CNS disorders CHRM1, SLC6A3, HTR3C HTR3E 71/4885HTR3B 35/4885HTR3A 28/4885
US-20030232822-A1 Indole derivatives useful for the treatment of CNS disorders CHRM1, TPH1, CHRNA6 HTR3E 80/4885HTR3B 62/4885HTR3A 38/4885

“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.