SCHEMBL599005

SCHEMBL599005

O=C(N[C@@H]1CCc2ccccc21)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
PDPK1 O15530 1/20 0.51
HTT P42858 1/20 0.51
TAS1R3 Q7RTX0 5/20 0.51
TAS1R1 Q7RTX1 5/20 0.51
TAS1R2 Q8TE23 4/20 0.51
EPHX2 P34913 2/20 0.50
ALDH1A1 P00352 1/20 0.50
P2RX7 Q99572 1/20 0.50
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
EPHX1 P07099 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL1987710 1.00 MTNR1A (0.57) MTNR1AMTNR1BPDPK1HTTTAS1R3
SCHEMBL606392 0.91 HTT (0.63) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL15006999 0.91 HTT (0.63) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL1266129 0.91 HTT (0.63) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL18701560 0.84 PDPK1 (0.56) PDPK1HTTTAS1R3TAS1R1TAS1R2
SCHEMBL19969316 0.81 PDPK1 (0.51) PDPK1HTTTAS1R3TAS1R1TAS1R2
SCHEMBL1265290 0.81 LMNA (0.47) MTNR1AMTNR1BHTTEPHX2ALDH1A1
SCHEMBL15006926 0.81 LMNA (0.47) MTNR1AMTNR1BHTTEPHX2ALDH1A1
SCHEMBL31277918 0.81 PDE10A (0.47) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL1265292 0.81 LMNA (0.47) MTNR1AMTNR1BHTTEPHX2ALDH1A1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738149-B1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 2006-11-29 EP claimed
US-20020068839-A1 COMPOSITIONS CONTAINING AND METHODS OF USING 1-AMINOINDAN AND DERIVATIVES THEREOF AND PROCESS FOR PREPARING OPTICALLY ACTIVE 1-AMINOINDAN DERIVATIVES COHEN SASSON (IL) 2002-06-06 US claimed
US-5994408-A THERAPY FOR PARKINSON'S DISEASE; ANTICONVULSANT TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-11-30 US claimed
EP-2939669-A1 3-KETO-N-PROPARGYL-1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2015-11-04 EP disclosed
EP-2663545-B1 A NEW METHOD FOR THE SYNTHESIS OF RASAGILINE NOBEL ILAÇ SANAYII VE TICARET A S (TR) 2015-07-01 EP disclosed
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-20150045445-A1 3-KETO-N-PROPARGYL-1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2015-02-12 US disclosed
US-8901352-B2 Method for the synthesis of rasagiline NOBEL ILAÇ SANAYII VE TICARET A.S. (TR) 2014-12-02 US disclosed
US-8901352-B2 Method for the synthesis of rasagiline NOBEL ILAÇ SANAYII VE TICARET A.S. (TR) 2014-12-02 US disclosed
EP-1592674-B1 AMINO 1, 3, 5-TRIAZINES N-SUBSTITUTED WITH CHIRAL BICYCLIC RADICALS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS THEREOF AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2014-03-05 EP disclosed
US-5880159-A TREATING ACUTE NEUROLOGICAL TRAUMATIC DISORDER OR NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-09 US disclosed
US-5877221-A TREATING DEMENTIA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-02 US disclosed
US-5877218-A PARKINSON'S DISEASE; ANTIEPILEPSY AGENTS; ANTICONVULSANTS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-02 US disclosed
WO-1998027055-A1 AMINOINDAN DERIVATIVES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1998-06-25 WO disclosed
US-5639913-A TREATMENT OF PARKINSON'S DISEASE, DEMENTIA, EPILEPSY TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-06-17 US disclosed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP disclosed
WO-1996021454-A1 PHOSPHATE-BINDING POLYMERS FOR ORAL ADMINISTRATION GELTEX PHARMACEUTICALS, INC. (US) 1996-07-18 WO disclosed
WO-1996021640-A1 OPTICALLY ACTIVE AMINOINDANE DERIVATIVES AND PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-07-18 WO disclosed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 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 (3 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-20150045445-A1 3-KETO-N-PROPARGYL-1-AMINOINDAN PKD1, NAT1, AAAS MTNR1A 1721/4885MTNR1B 2699/4885PDPK1 1438/4885
US-20150141384-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DEGENERATIVE DISORDERS HTT, SNCA, PARK7 MTNR1A 228/4885MTNR1B 370/4885PDPK1 2940/4885
US-20020068839-A1 COMPOSITIONS CONTAINING AND METHODS OF USING 1-AMINOINDAN AND DERIVATIVES THEREOF AND PROCESS FOR PREPARING OPTICALLY ACTIVE 1-AMINOINDAN DERIVATIVES PARK7, GAP43, PSEN1 MTNR1A 135/4885MTNR1B 374/4885PDPK1 1131/4885

“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.