SCHEMBL9611571

SCHEMBL9611571

CN(C)CC=C1c2ccccc2CCc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.72
SLC6A2 P23975 6/20 0.72
HTR2B P41595 5/20 0.72
KCNH2 Q12809 5/20 0.72
CYP1A2 P05177 4/20 0.72
CHRM2 P08172 4/20 0.72
ADRA2A P08913 4/20 0.72
CYP2D6 P10635 4/20 0.72
CHRM1 P11229 4/20 0.72
DRD2 P14416 4/20 0.72
ADRA2B P18089 4/20 0.72
ADRA2C P18825 4/20 0.72
CHRM3 P20309 4/20 0.72
HTR2A P28223 4/20 0.72
HTR2C P28335 4/20 0.72
SLC6A4 P31645 4/20 0.72
ADRA1A P35348 4/20 0.72
DRD3 P35462 4/20 0.72
OPRK1 P41145 4/20 0.72
RET P07949 3/20 0.72

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
Amitriptyline SCHEMBL29359365 0.84 SLC6A2 (1.00) HRH1SLC6A2HTR2BKCNH2CYP1A2
Amitriptyline SCHEMBL2877708 0.84 SLC6A2 (1.00) HRH1SLC6A2HTR2BKCNH2CYP1A2
Amitriptyline SCHEMBL7824 0.84 SLC6A2 (1.00) HRH1SLC6A2HTR2BKCNH2CYP1A2
Amitriptyline SCHEMBL28299765 0.82 SLC6A2 (0.97) HRH1SLC6A2HTR2BKCNH2CYP1A2
Amitriptyline SCHEMBL14937172 0.82 SLC6A2 (1.00) HRH1SLC6A2HTR2BKCNH2CYP1A2
Amitriptyline SCHEMBL7215255 0.82 SLC6A2 (0.97) HRH1SLC6A2HTR2BKCNH2CYP1A2
Amitriptyline SCHEMBL29356807 0.82 SLC6A2 (1.00) HRH1SLC6A2HTR2BKCNH2CYP1A2
Amitriptyline SCHEMBL41079 0.82 SLC6A2 (1.00) HRH1SLC6A2HTR2BKCNH2CYP1A2
Amitriptyline SCHEMBL3055149 0.81 SLC6A2 (0.94) HRH1SLC6A2HTR2BKCNH2CYP1A2
Amitriptyline SCHEMBL14918734 0.81 SLC6A2 (0.97) HRH1SLC6A2HTR2BKCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180071279-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS THE GENERAL HOSPITAL CORPORATION 2018-03-15 US disclosed
US-20160324850-A1 Methods and Compositions for Treating Degenerative and Ischemic Disorders THE GENERAL HOSPITAL CORPORATION 2016-11-10 US disclosed
US-9399032-B2 Methods and compositions for treating degenerative and ischemic disorders THE GENERAL HOSPITAL CORPORATION (US) 2016-07-26 US disclosed
US-20120136007-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS THE GENERAL HOSPITAL CORPORATION (US) 2012-05-31 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 (3 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-20180071279-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS PINK1, PC, PCK2 HRH1 2432/4885SLC6A2 3061/4885HTR2B 1328/4885
US-20120136007-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS PINK1, PC, PCK2 HRH1 2432/4885SLC6A2 3061/4885HTR2B 1328/4885
US-20160324850-A1 Methods and Compositions for Treating Degenerative and Ischemic Disorders PINK1, PC, PCK2 HRH1 2432/4885SLC6A2 3061/4885HTR2B 1328/4885

“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.