SCHEMBL4081913

SCHEMBL4081913

CNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43
CCR3 P51677 1/20 0.42
SIGMAR1 Q99720 6/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1F P30939 1/20 0.41
CACNA1G O43497 1/20 0.40
SCD O00767 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRL1 P41146 1/20 0.39
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
KCNH2 Q12809 1/20 0.38
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL5871701 0.91 DRD2 (0.44) DRD2SLC6A4CCR3SIGMAR1HTR1A
SCHEMBL5871274 0.89 CCR3 (0.41) DRD2SLC6A4CCR3SIGMAR1HTR1A
SCHEMBL5201272 0.88 OPRM1 (0.43) DRD2SLC6A4CCR3HTR1AHTR1D
SCHEMBL5204142 0.87 HTR1A (0.50) DRD2SLC6A4CCR3SIGMAR1HTR1A
SCHEMBL5871543 0.86 DRD2 (0.44) DRD2SLC6A4CCR3SIGMAR1HTR1A
SCHEMBL4076926 0.86 HTR2A (0.44) DRD2SLC6A4CCR3SIGMAR1HTR1A
SCHEMBL5871011 0.85 CCR3 (0.42) DRD2SLC6A4CCR3SIGMAR1HTR1A
SCHEMBL6619900 0.85 HTR1A (0.48) DRD2SLC6A4HTR1AHTR1DHTR1B
SCHEMBL5871619 0.85 DRD2 (0.40) DRD2SLC6A4CCR3SIGMAR1HTR1A
SCHEMBL5871553 0.85 DRD2 (0.40) DRD2SLC6A4CCR3SIGMAR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541371-B2 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US claimed
US-20080027039-A1 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-31 US claimed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP claimed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US claimed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US claimed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP claimed
US-7541371-B2 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-7541371-B2 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-7541371-B2 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20080027039-A1 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-31 US disclosed
US-20080027039-A1 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-31 US disclosed
US-20080027039-A1 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-31 US disclosed
EP-1179532-B1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES AND INTERMEDIATES THEREFOR EISAI R&D MAN CO LTD (JP) 2007-06-13 EP disclosed
US-6573384-B1 1,4-substituted cyclic amine compound which is useful as a pharmaceutical, and an intermediate for the process EISAI CO., LTD. (JP) 2003-06-03 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-1179532-A1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES AND INTERMEDIATES THEREFOR Eisai Co., Ltd. (JP) 2002-02-13 EP disclosed
JP-2000355591-A PRODUCTION OF INDOLE DERIVATIVE AND ITS INTERMEDIATE EISAI CO LTD 2000-12-26 JP disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP 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-20020019531-A1 Indoles INMT, MUSK, MB DRD2 51/4885SLC6A4 25/4885CCR3 1186/4885
US-20080027039-A1 Method for treating a motor neuron disease SMN1; SMN2, NLN, SLC18A2 DRD2 626/4885SLC6A4 8/4885CCR3 3404/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 DRD2 54/4885SLC6A4 114/4885CCR3 1686/4885

“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.