SCHEMBL5871503

SCHEMBL5871503

Brc1ccc2c(c1)N(C1CCN(Cc3ccccc3)CC1)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
DRD4 P21917 4/20 0.48
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
SIGMAR1 Q99720 3/20 0.46
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
FPR2 P25090 1/20 0.45
ACHE P22303 3/20 0.44
KMT2A Q03164 2/20 0.44
CHRM2 P08172 4/20 0.44
CHRM3 P20309 4/20 0.44
CCR3 P51677 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5871208 0.85 ALDH1A1 (0.52) DRD4DRD2DRD3SIGMAR1ACHE
SCHEMBL5871409 0.84 DRD2 (0.47) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL5871336 0.83 DRD2 (0.55) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL5871813 0.82 SIGMAR1 (0.53) DRD4DRD2DRD3SIGMAR1ACHE
SCHEMBL7804878 0.80 ACHE (0.59) DRD2SIGMAR1ACHEKMT2AMEN1
SCHEMBL5871821 0.80 BACE1 (0.46) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL5871407 0.80 CYP1A2 (0.37) MBTD1L3MBTL3OPRM1OPRK1OPRL1
SCHEMBL5872046 0.80 BACE1 (0.46) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL27227657 0.79 MBTD1 (0.53) MBTD1L3MBTL3DRD4DRD2DRD3
SCHEMBL30658416 0.79 MBTD1 (0.53) MBTD1L3MBTL3DRD4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 MBTD1 242/4885L3MBTL3 892/4885DRD4 64/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 MBTD1 206/4885L3MBTL3 1021/4885DRD4 66/4885

“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.