SCHEMBL482279

SCHEMBL482279

Clc1ccc(C2CC[N]CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.48
DRD2 P14416 1/20 0.47
SLC18A3 Q16572 1/20 0.43
LSS P48449 1/20 0.41
SRD5A1 P18405 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC2A1 P11166 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ADRA1A P35348 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL7110873 0.94 HTR3A (0.44) HTR3ADRD2SLC18A3LSSSRD5A1
SCHEMBL5544343 0.92 HTR3A (0.47) HTR3ADRD2SLC18A3LSSSRD5A1
SCHEMBL1366932 0.87 HTR3A (0.46) HTR3ADRD2SLC18A3LSSSRD5A1
SCHEMBL315186 0.83 HTR3A (0.58) HTR3ADRD2SLC18A3LSSSRD5A1
SCHEMBL435619 0.78 HTR3A (0.59) HTR3ADRD2SLC18A3LSSSRD5A1
SCHEMBL218475 0.78 HTR3A (0.59) HTR3ADRD2SLC18A3LSSSRD5A1
SCHEMBL5584293 0.77 GRM2 (0.37) TSHRSMN1; SMN2
SCHEMBL5584379 0.77 KDM1A (0.40) MEN1KMT2ASLC6A2SLC6A3CYP2C9
SCHEMBL8316351 0.77 ESR2 (0.59) CYP2C9
SCHEMBL241933 0.77 KDM1A (0.40) DRD2SLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130245064-A1 NOVEL NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-09-19 US claimed
EP-2635554-A2 NOVEL NEUROTRYPSIN INHIBITORS Neurotune AG (CH) 2013-09-11 EP claimed
EP-1937669-B9 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA NV (BE) 2012-07-18 EP claimed
WO-2012059443-A2 NOVEL NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO claimed
EP-1937669-B1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-1937669-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP claimed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed
WO-2007027959-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 WO claimed
US-20070049556-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-01 US claimed
WO-2001056974-A2 INHA INHIBITORS AND THEIR USE AS ANTIBACTERIALS GENZYME CORPORATION (US) 2001-08-09 WO claimed
US-4179447-A ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1979-12-18 US claimed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130245064-A1 NOVEL NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-09-19 US disclosed
EP-0574846-A2 Imidazopyridines as angiotensin II antagonistes MERCK PATENT GmbH (DE) 1993-12-22 EP disclosed
US-4338453-A Aminoalkyl-1,2,4-triazoles THE UPJOHN COMPANY (US) 1982-07-06 US disclosed
US-4177290-A CNS ACTIVITY LABORATOIRE L. LAFON (FR) 1979-12-04 US 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 (4 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R HTR3A 741/4885DRD2 211/4885SLC18A3 3852/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 HTR3A 4208/4885DRD2 4174/4885SLC18A3 3136/4885
US-20070049556-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS KCNJ2, KCNN1, KCNN3 HTR3A 1617/4885DRD2 1957/4885SLC18A3 280/4885
US-20130245064-A1 NOVEL NEUROTRYPSIN INHIBITORS PRSS12, NLN, MTPN HTR3A 1508/4885DRD2 696/4885SLC18A3 78/4885

“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.