SCHEMBL5871071

SCHEMBL5871071

Brc1cnn(CCOCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
LTA4H P09960 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL27032021 0.97 SMN1; SMN2 (0.45) HPGDLTA4HSMN1; SMN2TSHRNPC1
SCHEMBL27032420 0.94 MEN1 (0.41) HPGDLTA4HSMN1; SMN2TSHRNPC1
SCHEMBL27032023 0.88 GBA1 (0.44) HPGDSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL27032113 0.86 HPGD (0.40) HPGDLTA4HSMN1; SMN2NPC1RAB9A
SCHEMBL27129815 0.86 HPGD (0.40) HPGDLTA4HSMN1; SMN2NPC1RAB9A
SCHEMBL27129001 0.84 HPGD (0.40) HPGDLTA4HSMN1; SMN2NPC1RAB9A
SCHEMBL27032321 0.84 HPGD (0.40) HPGDLTA4HSMN1; SMN2NPC1RAB9A
SCHEMBL27032090 0.83 HPGD (0.42) HPGDSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL27032344 0.83 HPGD (0.42) HPGDSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL27130650 0.83 HPGD (0.42) HPGDSMN1; SMN2TSHRNPC1RAB9A

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 9 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
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN 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
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN 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 HPGD 2640/4885LTA4H 3476/4885SMN1; SMN2 39/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HPGD 2890/4885LTA4H 3673/4885SMN1; 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.