SCHEMBL5484579

SCHEMBL5484579

O=C(CCl)c1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
KCNH2 Q12809 2/20 0.42
MTNR1A P48039 8/20 0.42
MTNR1B P49286 8/20 0.42
NQO2 P16083 6/20 0.42
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
DHODH Q02127 1/20 0.37
HTR2A P28223 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 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
SCHEMBL5738480 1.00 HTR1A (0.42) HTR1ADRD2KCNH2MTNR1AMTNR1B
SCHEMBL5739043 0.90 HTR1A (0.42) HTR1ADRD2KCNH2MTNR1AMTNR1B
SCHEMBL484623 0.85 HTR1A (0.43) HTR1ADRD2KCNH2MTNR1AMTNR1B
SCHEMBL485027 0.81 MEN1 (0.48) HTR1ADRD2KCNH2MTNR1AMTNR1B
SCHEMBL485026 0.81 MEN1 (0.48) HTR1ADRD2KCNH2MTNR1AMTNR1B
SCHEMBL5739968 0.81 HTR1A (0.53) HTR1ADRD2KCNH2MTNR1AMTNR1B
SCHEMBL5489764 0.80 MTNR1A (0.49) MTNR1AMTNR1BNQO2LMNA
SCHEMBL31277918 0.79 PDE10A (0.47) HTR1ADRD2KCNH2MTNR1AMTNR1B
SCHEMBL6260142 0.78 HTR1A (0.43) HTR1ADRD2KCNH2MTNR1AMTNR1B
SCHEMBL784931 0.78 WDR5 (0.43) MTNR1AMTNR1BNQO2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141384-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DEGENERATIVE DISORDERS KANDULA MAHESH (US) 2015-05-21 US disclosed
US-20150141384-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DEGENERATIVE DISORDERS KANDULA MAHESH (US) 2015-05-21 US disclosed
EP-1535902-B1 Aminoindan derivatives TEVA PHARMA (IL) 2007-11-07 EP disclosed
US-RE39616-E1 Aminoindan derivatives TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2007-05-08 US disclosed
EP-1535902-A1 Aminoindan derivatives TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2005-06-01 EP disclosed
EP-0966435-B1 AMINOINDAN DERIVATIVES TEVA PHARMA (IL) 2005-04-06 EP disclosed
EP-0966435-A4 AMINOINDAN DERIVATIVES TEVA PHARMA (IL) 2003-04-16 EP disclosed
US-6538025-B2 Aminoindan derivatives TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2003-03-25 US disclosed
US-20020188020-A1 Aminoindan derivatives YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM 2002-12-12 US disclosed
US-6462222-B1 TREATMENT OF DEMENTIAS OF THE ALZHEIMER TYPE AND MEMORY DISORDERS AS WELL AS ATTENTION DEFECIT DISORDERS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-10-08 US disclosed
US-6303650-B1 FOR THERAPY OF ALZHEIMER'S DISEASE OR DEMENTIA YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-10-16 US disclosed
EP-0966435-A1 AMINOINDAN DERIVATIVES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-12-29 EP disclosed
WO-1998027055-A1 AMINOINDAN DERIVATIVES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1998-06-25 WO 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 (2 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-20150141384-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DEGENERATIVE DISORDERS HTT, SNCA, PARK7 HTR1A 146/4885DRD2 1254/4885KCNH2 1333/4885
US-20020188020-A1 Aminoindan derivatives SNCA, HTR1A, HTR1D HTR1A 2/4885DRD2 18/4885KCNH2 3626/4885

“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.