SCHEMBL9611568

SCHEMBL9611568

CN1CCC(N2c3ccccc3Sc3ccccc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 1/20 0.55
KDM1A O60341 8/20 0.51
MAOA P21397 1/20 0.50
CHRM2 P08172 2/20 0.49
ADRA2A P08913 2/20 0.49
CHRM1 P11229 2/20 0.49
DRD1 P21728 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
ADRA1A P35348 2/20 0.49
OPRM1 P35372 2/20 0.49
DRD3 P35462 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KCNH2 Q12809 2/20 0.49
ABCB11 O95342 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2B P18089 1/20 0.49
CHRM3 P20309 1/20 0.49

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
SCHEMBL5119561 0.87 PIM1 (0.48) CYP2D6CYP1A2KDM1AMAOACHRM2
SCHEMBL5114986 0.84 ADRA2A (0.49) CYP2D6CYP1A2KDM1AMAOACHRM2
SCHEMBL12561711 0.84 FPR2 (0.57) CYP2D6CYP1A2CHRM2ADRA2ACHRM1
SCHEMBL5998189 0.83 BCHE (0.45) CYP2D6CYP1A2HRH1BCHESMN1; SMN2
SCHEMBL12536832 0.82 KDM1A (0.54) CYP2D6CYP1A2KDM1AMAOACHRM2
SCHEMBL23954425 0.80 BCHE (0.54) KDM1AMAOACHRM2ADRA2ACHRM1
SCHEMBL11258249 0.80 CYP2D6 (0.49) CYP2D6CYP1A2KDM1AMAOACHRM2
SCHEMBL5116460 0.79 L3MBTL3 (0.48) BCHESMN1; SMN2
Acetamide SCHEMBL27709114 0.79 GFER (0.43) CYP2D6CYP1A2CHRM2CHRM1SLC6A2
SCHEMBL5504478 0.79 CYP2D6 (0.41) CYP2D6CYP1A2KDM1AMAOACHRM2

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 CYP2D6 2734/4885CYP1A2 3151/4885KDM1A 1783/4885
US-20120136007-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS PINK1, PC, PCK2 CYP2D6 2734/4885CYP1A2 3151/4885KDM1A 1783/4885
US-20160324850-A1 Methods and Compositions for Treating Degenerative and Ischemic Disorders PINK1, PC, PCK2 CYP2D6 2734/4885CYP1A2 3151/4885KDM1A 1783/4885

“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.