SCHEMBL6904056

SCHEMBL6904056

CN(C)CCC=C1C=CC2=C(CCC=C2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 9/20 0.46
▸ HRH1 P35367 8/20 0.46
▸ SLC6A2 P23975 7/20 0.46
▸ KCNH2 Q12809 7/20 0.46
▸ CHRM2 P08172 6/20 0.46
▸ CHRM1 P11229 6/20 0.46
▸ DRD2 P14416 6/20 0.46
▸ SLC6A4 P31645 6/20 0.46
▸ ADRA1A P35348 6/20 0.46
▸ DRD3 P35462 6/20 0.46
▸ CYP2D6 P10635 6/20 0.46
▸ ADRA2C P18825 5/20 0.46
▸ CHRM3 P20309 5/20 0.46
▸ HTR2A P28223 5/20 0.46
▸ HTR2C P28335 5/20 0.46
▸ HTR1A P08908 5/20 0.46
▸ CYP1A2 P05177 5/20 0.46
▸ ADRA2A P08913 5/20 0.46
▸ OPRK1 P41145 4/20 0.46
▸ ADRA2B P18089 4/20 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
Hydrochloric Acid SCHEMBL5902888 0.99 SLC6A2 (0.47) HTR2BHRH1SLC6A2KCNH2CHRM2
SCHEMBL20773893 0.83 LMNA (0.45) HTR2BHRH1SLC6A2KCNH2CHRM2
SCHEMBL9421101 0.73 — —
SCHEMBL9421106 0.73 — —
SCHEMBL1235245 0.71 CYP1A2 (0.31) CYP2D6CYP1A2CYP2C19
SCHEMBL9421065 0.70 — —
SCHEMBL4913656 0.66 HRH1 (0.44) HTR2BHRH1SLC6A2KCNH2CHRM2
SCHEMBL2747705 0.64 HDAC1 (0.42) LMNAALDH1A1
Amitriptyline SCHEMBL2877708 0.63 SLC6A2 (1.00) HTR2BHRH1SLC6A2KCNH2CHRM2
Amitriptyline SCHEMBL29359365 0.63 SLC6A2 (1.00) HTR2BHRH1SLC6A2KCNH2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675814-A1 COMPOSITION FOR TOPICAL TREATMENT OF NON-MICROORGANISM-CAUSED INFLAMMATORY SKIN AND MUCOUS-MEMBRANE DISEASES Bläss, Markus (DE) 2020-07-08 — — EP claimed
WO-2019043064-A1 COMPOSITION FOR TOPICAL TREATMENT OF NON-MICROORGANISM-CAUSED INFLAMMATORY SKIN AND MUCOUS-MEMBRANE DISEASES BLAESS MARKUS (DE) 2019-03-07 — — WO claimed
US-20210308120-A1 Use of Amitriptyline for Blocking Brain Hemichannels and Method for Potentiating its Effect in Vivo THERANEXUS (FR) 2021-10-07 — — US disclosed
EP-3322412-B1 USE OF AMITRIPTYLINE FOR BLOCKING BRAIN HEMICHANNELS AND METHOD FOR POTENTIATING ITS EFFECT IN VIVO THERANEXUS (FR) 2021-04-07 — — EP disclosed
EP-3675814-A1 COMPOSITION FOR TOPICAL TREATMENT OF NON-MICROORGANISM-CAUSED INFLAMMATORY SKIN AND MUCOUS-MEMBRANE DISEASES Bläss, Markus (DE) 2020-07-08 — — EP disclosed
WO-2019043064-A1 COMPOSITION FOR TOPICAL TREATMENT OF NON-MICROORGANISM-CAUSED INFLAMMATORY SKIN AND MUCOUS-MEMBRANE DISEASES BLAESS MARKUS (DE) 2019-03-07 — — WO disclosed
US-20180207147-A1 USE OF AMITRIPTYLINE FOR BLOCKING BRAIN HEMICHANNELS AND METHOD FOR POTENTIATING ITS EFFECT IN VIVO THERANEXUS (FR) 2018-07-26 — — US disclosed
EP-1397145-A2 USE OF COX-2 INHIBITORS FOR THE TREATMENT OF SCHIZOPHRENIA, DELUSIONAL DISORDERS, AFFECTIVE DISORDERS, AUTISM OR TIC DISORDERS Müller, Norbert (DE) 2004-03-17 — — EP disclosed
WO-2002102297-A2 USE OF COX-2 INHIBITORS FOR THE TREATMENT OF SCHIZOPHRENIA, DELUSIONAL DISORDERS, AFFECTIVE DISORDERS, AUTISM OR TIC DISORDERS MUELLER NORBERT (DE) 2002-12-27 — — 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 (2 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-20180207147-A1 USE OF AMITRIPTYLINE FOR BLOCKING BRAIN HEMICHANNELS AND METHOD FOR POTENTIATING ITS EFFECT IN VIVO GAP43, GJB2, HCN3 HTR2B 26/4885HRH1 541/4885SLC6A2 25/4885
US-20210308120-A1 Use of Amitriptyline for Blocking Brain Hemichannels and Method for Potentiating its Effect in Vivo GAP43, GJB2, HCN3 HTR2B 26/4885HRH1 541/4885SLC6A2 25/4885

“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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