SCHEMBL5871705

SCHEMBL5871705

O/N=C\c1ccc(CCBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
ACHE P22303 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 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
SCHEMBL5871707 1.00 RAB9A (0.45) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL505972 0.83 RAB9A (0.47) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL505973 0.83 RAB9A (0.47) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL8887514 0.81 CA2 (0.48) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL11971337 0.79 KMT2A (0.55) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL4021653 0.79 RAB9A (0.45) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL4021648 0.79 RAB9A (0.45) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL11971339 0.79 KMT2A (0.55) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL8888786 0.79 TAAR1 (0.50) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL13613577 0.78 KMT2A (0.50) RAB9ANPC1SMN1; SMN2CASP3SENP8

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 4695/4885SMN1; SMN2 39/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 RAB9A 1773/4885NPC1 4599/4885SMN1; SMN2 81/4885

“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.