SCHEMBL361398

SCHEMBL361398

C=CCNC1CCCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
BCHE P06276 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
ACHE P22303 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR6 P50406 1/20 0.48
GAA P10253 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
KCNN3 Q9UGI6 1/20 0.46

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
SCHEMBL1971780 0.90 HTR1A (0.62) HTR1ATAS1R3TAS1R1MAOAMAOB
SCHEMBL31046300 0.90 HTR1A (0.62) HTR1ATAS1R3TAS1R1MAOAMAOB
SCHEMBL1969755 0.90 HTR1A (0.62) HTR1ATAS1R3TAS1R1MAOAMAOB
SCHEMBL19120324 0.84 ALDH1A1 (0.54) TAS1R3TAS1R1ALDH1A1KDM4EKMT2A
SCHEMBL22525050 0.84 ALDH1A1 (0.54) TAS1R3TAS1R1ALDH1A1KDM4EKMT2A
Oxalic Acid SCHEMBL1974437 0.82 HTR1A (0.54) HTR1ATAS1R3TAS1R1ALDH1A1KDM4E
Oxalic Acid SCHEMBL1968009 0.82 HTR1A (0.54) HTR1ATAS1R3TAS1R1ALDH1A1KDM4E
SCHEMBL7538877 0.80 SIGMAR1 (0.55) HTR1AMAOAMAOBBCHEADRA2B
SCHEMBL1327514 0.79 HTT (0.56) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL8249322 0.79 ALDH1A1 (0.57) TAS1R3TAS1R1ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
EP-2816024-B1 Chiral amines SUNOVION PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2016-01-21 US disclosed
US-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2016-01-21 US disclosed
EP-2013835-B1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
JP-2015155450-A PREPARATION OF CHIRAL AMIDES AND AMINES サノビオン ファーマシューティカルズ インクSunovion Pharmaceuticals Inc. 2015-08-27 JP disclosed
US-9051280-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-09 US disclosed
CN-101421228-A Preparation of chiral amides and amines SEPRACOR INC (US) 2009-04-29 CN disclosed
EP-2013835-A2 PREPARATION OF CHIRAL AMIDES AND AMINES Sepracor Inc. (US) 2009-01-14 EP disclosed
EP-2013835-A2 PREPARATION OF CHIRAL AMIDES AND AMINES Sepracor Inc. (US) 2009-01-14 EP disclosed
WO-2007115185-A3 PREPARATION OF CHIRAL AMIDES AND AMINES SEPRACOR INC (US) 2008-12-24 WO disclosed
WO-2007115185-A2 PREPARATION OF CHIRAL AMIDES AND AMINES SEPRACOR INC. (US) 2007-10-11 WO disclosed
WO-2007115185-A2 PREPARATION OF CHIRAL AMIDES AND AMINES SEPRACOR INC. (US) 2007-10-11 WO disclosed
US-6331636-B1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, DIABETES, HYPERTENSION, IMPOTENCY, APPETITE CONTROL THE UPJOHN COMPANY 2001-12-18 US disclosed
US-5545755-A USEFUL TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS, HYPERTENSION, DIABETES, SEXUAL IMPOTENCY AND TO CONTROL APPETITE THE UPJOHN COMPANY (US) 1996-08-13 US disclosed
EP-0476016-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 1992-03-25 EP disclosed
WO-1990015047-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1990-12-13 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-10011559-B2 Preparation of chiral amides and amines PNMT, ALKBH5, ALKBH2 HTR1A 383/4885TAS1R3 2758/4885TAS1R1 2639/4885
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH2, ALKBH5 HTR1A 565/4885TAS1R3 3181/4885TAS1R1 3049/4885
US-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 HTR1A 383/4885TAS1R3 2758/4885TAS1R1 2639/4885

“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.