SCHEMBL4908389

SCHEMBL4908389

CN1CCN2c3ncccc3C(O)c3ccccc3[C@H]2C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 8/20 0.69
▸ HTR2C P28335 7/20 0.69
▸ HTR2B P41595 7/20 0.69
▸ HTR1A P08908 5/20 0.69
▸ DRD3 P35462 5/20 0.69
▸ CYP1A2 P05177 2/20 0.69
▸ CHRM2 P08172 2/20 0.69
▸ ADRA2A P08913 2/20 0.69
▸ CYP2D6 P10635 2/20 0.69
▸ CHRM1 P11229 2/20 0.69
▸ CYP2C9 P11712 2/20 0.69
▸ TSHR P16473 2/20 0.69
▸ ADRA2B P18089 2/20 0.69
▸ ADRA2C P18825 2/20 0.69
▸ DRD1 P21728 2/20 0.69
▸ CYP2C19 P33261 2/20 0.69
▸ HTR7 P34969 2/20 0.69
▸ ADRA1A P35348 2/20 0.69
▸ HRH1 P35367 2/20 0.69
▸ HTR3A P46098 2/20 0.69

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
SCHEMBL4911654 1.00 HTR2A (0.69) HTR2AHTR2CHTR2BHTR1ADRD3
Mirtazapine SCHEMBL966891 0.82 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1ADRD3
Esmirtazapine SCHEMBL29579803 0.82 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1ADRD3
Mirtazapine SCHEMBL35408 0.82 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1ADRD3
Mirtazapine SCHEMBL8271559 0.82 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1ADRD3
Mirtazapine SCHEMBL29484433 0.82 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1ADRD3
Mirtazapine SCHEMBL29579914 0.82 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1ADRD3
Esmirtazapine SCHEMBL49330 0.82 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1ADRD3
Mirtazapine SCHEMBL2483266 0.81 HTR2A (0.97) HTR2AHTR2CHTR2BHTR1ADRD3
Mirtazapine SCHEMBL355514 0.81 HTR2A (0.97) HTR2AHTR2CHTR2BHTR1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146993-B1 A METHOD FOR THE PREPARATION OF MIRTAZAPINE MERCK SHARP & DOHME (NL) 2015-08-05 — — EP disclosed
EP-2146993-B1 A METHOD FOR THE PREPARATION OF MIRTAZAPINE MERCK SHARP & DOHME (NL) 2015-08-05 — — EP disclosed
WO-2008125578-A2 A METHOD FOR THE PREPARATION OF MIRTAZAPINE N.V. ORGANON (NL) 2008-10-23 — — WO disclosed
US-20080255348-A1 METHOD FOR THE PREPARATION OF AN ENANTIOMER OF A TETRACYCLIC BENZAZEPINE N.V. ORGANON 2008-10-16 — — US disclosed
US-20080255348-A1 METHOD FOR THE PREPARATION OF AN ENANTIOMER OF A TETRACYCLIC BENZAZEPINE N.V. ORGANON 2008-10-16 — — 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 (1 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-20080255348-A1 METHOD FOR THE PREPARATION OF AN ENANTIOMER OF A TETRACYCLIC BENZAZEPINE CYP3A5, HMGCR, CYP11A1 HTR2A 150/4885HTR2C 96/4885HTR2B 81/4885

“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.

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