SCHEMBL5871606

SCHEMBL5871606

ON=Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
SLC6A4 P31645 2/20 0.43
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.37
HTR2A P28223 4/20 0.36
HTR7 P34969 3/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR1A P08908 2/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36
GRM2 Q14416 1/20 0.35
CACNA1G O43497 1/20 0.35
KCNH2 Q12809 2/20 0.35
HTR2C P28335 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
SCHEMBL5871601 1.00 DRD2 (0.43) DRD2SLC6A4NPC1MAPTRAB9A
SCHEMBL5871362 0.87 DRD2 (0.46) DRD2SLC6A4HTR2AHTR7OPRM1
SCHEMBL5871089 0.84 HTR1A (0.43) DRD2SLC6A4HTR2AHTR7HTR1A
SCHEMBL5871082 0.84 HTR1A (0.43) DRD2SLC6A4HTR2AHTR7HTR1A
SCHEMBL5871734 0.82 SLC6A4 (0.46) DRD2SLC6A4HTR2AHTR7OPRM1
SCHEMBL5871337 0.80 SLC6A4 (0.46) DRD2SLC6A4HTR2AHTR7OPRM1
SCHEMBL6619900 0.77 HTR1A (0.48) DRD2SLC6A4PKMHTR2AHTR7
SCHEMBL5871619 0.77 DRD2 (0.40) DRD2SLC6A4NPC1MAPTSMN1; SMN2
SCHEMBL27493996 0.77 DRD2 (0.40) DRD2SLC6A4HTR2AHTR7OPRM1
SCHEMBL5871608 0.77 DRD2 (0.35) DRD2SLC6A4NPC1RAB9ASMN1; SMN2

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 DRD2 51/4885SLC6A4 25/4885NPC1 4695/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 DRD2 54/4885SLC6A4 114/4885NPC1 4599/4885

“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.