SCHEMBL2388024

SCHEMBL2388024

Cc1ccc2c(c1)CC(C)(C)C2(C)N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
HTR5A P47898 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.34
F2 P00734 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
METAP1 P53582 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP19A1 P11511 2/20 0.32
CYP11B2 P19099 2/20 0.32
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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 SCHEMBL2391243 0.98 CYP3A4 (0.34) CYP3A4SMN1; SMN2TDP1TP53THRB
SCHEMBL2389500 0.86 HTR5A (0.40) CYP3A4SMN1; SMN2TDP1TP53THRB
Hydrochloric Acid SCHEMBL2387643 0.85 HTR5A (0.39) CYP3A4SMN1; SMN2TDP1TP53THRB
SCHEMBL2387938 0.79 SRD5A1 (0.38) HTR5AALDH1A1ADRA2A
Hydrochloric Acid SCHEMBL2388769 0.78 SRD5A1 (0.37) HTR5AALDH1A1ADRA2A
Hydrochloric Acid SCHEMBL2388672 0.78 KDM1A (0.37) HTR5AADRA2AHTR2CHTR2B
SCHEMBL2389626 0.77 DRD2 (0.44) HTR5AMETAP1ADRA2AHTR1ASLC6A2
Hydrochloric Acid SCHEMBL2388781 0.75 DRD2 (0.42) CYP3A4HTR5AALDH1A1METAP1ADRA2A
Hydrochloric Acid SCHEMBL2388427 0.74 TDP2 (0.39) SLC6A2HTR2CHTR2BSIGMAR1
SCHEMBL13344276 0.74 CYP3A4 (0.39) CYP3A4SMN1; SMN2TDP1TP53THRB

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 CYP3A4 3932/4885SMN1; SMN2 715/4885TDP1 1368/4885

“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.