SCHEMBL3589113

SCHEMBL3589113

CN1CCN(c2c[c]ccc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.50
DRD3 P35462 4/20 0.50
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
RAD52 P43351 1/20 0.47
POLB P06746 2/20 0.44
HTR1A P08908 2/20 0.41
DRD4 P21917 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
ADRA2C P18825 1/20 0.41
BCL2A1 Q16548 1/20 0.40
HRH4 Q9H3N8 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4113163 0.87 DRD2 (0.51) DRD2DRD3KDM4EMAPTRAD52
SCHEMBL16463118 0.81 ADRA2C (0.43) DRD2DRD3KDM4EMAPTRAD52
SCHEMBL3034689 0.79 MAPT (0.49) KDM4EMAPTPOLBGAAMAPK1
SCHEMBL3584990 0.79 ALDH1A1 (0.47) DRD2DRD3KDM4EMAPTRAD52
SCHEMBL4173801 0.79 DRD2 (0.45) DRD2DRD3KDM4EMAPTRAD52
SCHEMBL3595550 0.77 DRD2 (0.55) DRD2DRD3KDM4EMAPTRAD52
SCHEMBL3584991 0.77 ALDH1A1 (0.41) DRD2DRD3KDM4EMAPTRAD52
SCHEMBL188362 0.76 ADRA2C (0.42) DRD2DRD3KDM4EMAPTRAD52
SCHEMBL3582056 0.76 ADRA2C (0.39) DRD2DRD3KDM4EMAPTRAD52
SCHEMBL3593318 0.76 ADRA2C (0.39) DRD2DRD3KDM4EMAPTRAD52

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
EP-1682076-A4 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS INC (US) 2008-02-06 EP claimed
EP-1682076-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-07-26 EP claimed
US-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof FULCRUM PHARMACEUTICALS, INC. (US) 2005-12-01 US claimed
WO-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 WO claimed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
CN-101516888-A Pyrazolo [1, 5-a] pyrimidine derivatives and their therapeutic use NOVARTIS AG (CH) 2009-08-26 CN disclosed
EP-1682076-A4 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS INC (US) 2008-02-06 EP disclosed
EP-1682076-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
US-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof FULCRUM PHARMACEUTICALS, INC. (US) 2005-12-01 US disclosed
WO-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 WO disclosed
EP-0773937-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1997-05-21 EP disclosed
WO-1996002525-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1996-02-01 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-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof ACE, ACE2, CTRL DRD2 4682/4885DRD3 4255/4885KDM4E 2334/4885
US-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN DRD2 4782/4885DRD3 4637/4885KDM4E 557/4885

“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.