SCHEMBL4081920

SCHEMBL4081920

CNC(=O)Cc1ccc2ccn(C3CCN(C(F)Cc4ccccc4)CC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
TACR1 P25103 1/20 0.39
SIGMAR1 Q99720 7/20 0.38
AVPR1A P37288 2/20 0.37
OPRL1 P41146 2/20 0.36
CCR3 P51677 2/20 0.36
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL5871706 0.91 TACR1 (0.41) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL5871281 0.88 TACR1 (0.41) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL5201280 0.87 TACR1 (0.41) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL6619909 0.86 HTR1A (0.46) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL5871549 0.85 HTT (0.39) HTR1AHTR1DHTR1BHTR1FTACR1
SCHEMBL4076932 0.85 HTR1A (0.39) HTR1AHTR1DHTR1BHTR1FOPRL1
SCHEMBL5871626 0.84 HTT (0.39) HTR1AHTR1DHTR1BHTR1FTACR1
SCHEMBL5871563 0.84 HTT (0.39) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL5871737 0.84 SCD (0.45) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL4073398 0.83 ALDH1A1 (0.39) HTR1AHTR1DHTR1BHTR1FDRD2

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 21 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-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-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
US-20050033056-A1 Hydroxylated indole derivatives and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-02-10 US disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
WO-2003059351-A1 HYDROXYLATED INDOLE DERIVATIVES AND USES THEREOF EISAI CO., LTD. (JP) 2003-07-24 WO 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 (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-20020019531-A1 Indoles INMT, MUSK, MB SCD 2882/4885HTR1A 17/4885HTR1D 31/4885
US-20080027039-A1 Method for treating a motor neuron disease SMN1; SMN2, NLN, SLC18A2 SCD 983/4885HTR1A 33/4885HTR1D 160/4885
US-20050033056-A1 Hydroxylated indole derivatives and uses thereof TPH2, TPH1, HTR6 SCD 1095/4885HTR1A 10/4885HTR1D 21/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 SCD 3282/4885HTR1A 14/4885HTR1D 27/4885

“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.