SCHEMBL2389074

SCHEMBL2389074

COc1ccccc1C1(N)c2ccccc2CC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ADRA2B P18089 1/20 0.36
PTGS1 P23219 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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 SCHEMBL2389617 0.98 SIGMAR1 (0.39) SIGMAR1CA12CA1CA2CA4
SCHEMBL12261457 0.86 CA12 (0.35) SIGMAR1CA12CA1CA2CA9
SCHEMBL12261454 0.78 SIGMAR1 (0.33) SIGMAR1CA12CA1CA2CA4
SCHEMBL2389396 0.76 KDM1A (0.41) SIGMAR1HTR2A
SCHEMBL12261451 0.76 SIGMAR1 (0.34) SIGMAR1CA12CA1CA2CA4
SCHEMBL12261448 0.76 SIGMAR1 (0.34) SIGMAR1CA12CA1CA2CA4
SCHEMBL2385308 0.75 KDM1A (0.44) SIGMAR1DRD2DRD3KMT2A
SCHEMBL2387490 0.74 KDM1A (0.37) HTR2A
SCHEMBL27511998 0.71 HTR2A (0.44) SIGMAR1HTR2A
SCHEMBL2390411 0.71 HTR2A (0.44) SIGMAR1HTR2A

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 SIGMAR1 81/4885CA12 3303/4885CA1 1391/4885

“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.