SCHEMBL2385308

SCHEMBL2385308

COc1cccc(C2(N)c3ccccc3CC2(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
KMT2A Q03164 1/20 0.42
BACE1 P56817 4/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
SLC6A4 P31645 2/20 0.38
OPRD1 P41143 2/20 0.38
KCNH2 Q12809 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37

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
SCHEMBL2389396 0.80 KDM1A (0.41) KDM1ASIGMAR1
SCHEMBL2387520 0.80 OPRD1 (0.47) OPRD1OPRM1OPRK1
SCHEMBL2389074 0.75 SIGMAR1 (0.40) KMT2ADRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL2389617 0.74 SIGMAR1 (0.39) DRD2DRD3SIGMAR1
SCHEMBL2387490 0.72 KDM1A (0.37) KDM1A
SCHEMBL2387537 0.69 HTR5A (0.44) KDM1ABACE1DRD2DRD1DRD5
SCHEMBL3159689 0.69 KDM1A (0.57) KDM1AKMT2ASLC6A4OPRD1SLC6A2
Hydrochloric Acid SCHEMBL2388679 0.68 HTR5A (0.43) KDM1AKMT2ABACE1DRD2DRD1
SCHEMBL8865370 0.68 OPRM1 (0.49) KDM1AKMT2ASIGMAR1SLC6A4OPRD1
Hydrochloric Acid SCHEMBL18742400 0.67 KDM1A (0.56) KDM1AKMT2ASLC6A4OPRD1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042480-B1 AMINOINDAN DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2013-05-01 EP claimed
US-8013018-B2 Aminoindane derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-06 US claimed
US-20090186916-A1 AMINOINDANE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-07-23 US claimed
CN-101489984-A Aminoindan derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-07-22 CN claimed
EP-2042480-A1 AMINOINDAN DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-04-01 EP claimed
EP-2042480-B1 AMINOINDAN DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2013-05-01 EP disclosed
CN-101489984-B Aminoindan derivative or salt thereof ASTELLAS PHARMA INC 2013-04-03 CN disclosed
US-8013018-B2 Aminoindane derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-20090186916-A1 AMINOINDANE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
CN-101489984-A Aminoindan derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-07-22 CN disclosed
EP-2042480-A1 AMINOINDAN DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-04-01 EP 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-20090186916-A1 AMINOINDANE DERIVATIVE OR SALT THEREOF GRIN3A, OPRL1, GRIN2A KDM1A 3209/4885KMT2A 1633/4885BACE1 248/4885

“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.