SCHEMBL5489764

SCHEMBL5489764

O=C(CCl)Oc1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)CC2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.49
MTNR1B P49286 7/20 0.49
NQO2 P16083 6/20 0.49
ACHE P22303 11/20 0.46
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL9630654 0.82 MTNR1A (0.65) MTNR1AMTNR1BNQO2LMNAGAA
SCHEMBL5738480 0.80 HTR1A (0.42) MTNR1AMTNR1BNQO2LMNA
SCHEMBL5484579 0.80 HTR1A (0.42) MTNR1AMTNR1BNQO2LMNA
SCHEMBL5739968 0.78 HTR1A (0.53) MTNR1AMTNR1BNQO2
SCHEMBL31277918 0.76 PDE10A (0.47) MTNR1AMTNR1BNQO2
SCHEMBL6260142 0.75 HTR1A (0.43) MTNR1AMTNR1BNQO2ACHELMNA
SCHEMBL10586399 0.75 CA12 (0.56) MTNR1AMTNR1BNQO2ACHE
SCHEMBL484623 0.74 HTR1A (0.43) MTNR1AMTNR1BNQO2
SCHEMBL485026 0.74 MEN1 (0.48) MTNR1AMTNR1BNQO2LMNAGAA
SCHEMBL485027 0.74 MEN1 (0.48) MTNR1AMTNR1BNQO2LMNAGAA

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 12 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
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 MTNR1A 228/4885MTNR1B 370/4885NQO2 3096/4885
US-20020188020-A1 Aminoindan derivatives SNCA, HTR1A, HTR1D MTNR1A 847/4885MTNR1B 1598/4885NQO2 1736/4885

“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.