SCHEMBL5871200

SCHEMBL5871200

O=C(Cc1ccc2c(OC(=O)C(=O)Oc3cn(C4CCN(CCc5ccc(F)cc5)CC4)c4cc(CC(=O)NCCc5ccccn5)ccc34)cn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCCc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
GPR39 O43194 1/20 0.40
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.36
CCR3 P51677 2/20 0.36
HRH2 P25021 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL5872132 0.94 KMT2A (0.43) RAB9ANPC1HTR1ADRD2MEN1
SCHEMBL5871795 0.86 CYP2D6 (0.41) MAPK1TDP1KCNH2MCHR1
SCHEMBL5871332 0.85 RAB9A (0.39) RAB9AMAPK1CCR3TDP1
SCHEMBL5871620 0.84 KMT2A (0.44) MEN1KMT2AEPHX2
SCHEMBL5872068 0.84 NPC1 (0.46) RAB9ANPC1GPR39HTR1ADRD2
SCHEMBL5870986 0.83 HTR2A (0.39) MAPK1CCR3SIGMAR1
SCHEMBL5871447 0.83 HTR2A (0.40) HTR1ADRD2CCR3HRH2
Oxalic Acid SCHEMBL5871197 0.82 NPC1 (0.46) RAB9ANPC1GPR39HTR1ADRD2
SCHEMBL5871510 0.81 HTR2A (0.37) DRD2CCR3KCNH2SIGMAR1
SCHEMBL5871210 0.81 CCR3 (0.41) HTR1ACCR3KCNH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 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-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 (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-20020019531-A1 Indoles INMT, MUSK, MB RAB9A 2208/4885NPC1 4695/4885GPR39 2729/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 RAB9A 1773/4885NPC1 4599/4885GPR39 3133/4885

“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.