SCHEMBL5871348

SCHEMBL5871348

COc1ccc2ccn(C3CCN(Cc4ccccc4)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
SIGMAR1 Q99720 3/20 0.52
DRD2 P14416 5/20 0.50
DRD4 P21917 3/20 0.50
DRD3 P35462 3/20 0.50
ACHE P22303 5/20 0.49
BACE1 P56817 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SLC6A4 P31645 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL8522038 0.84 DRD2 (0.53) DRD2DRD4DRD3ACHEBACE1
SCHEMBL31295108 0.84 SIGMAR1 (0.47) KMT2AMEN1SIGMAR1DRD2DRD4
SCHEMBL5871750 0.82 ALDH1A1 (0.55) DRD2DRD4DRD3ACHEBACE1
SCHEMBL7806905 0.82 DRD2 (0.53) SIGMAR1DRD2DRD4DRD3ACHE
SCHEMBL8522036 0.82 DRD2 (0.53) DRD2DRD4DRD3ACHEBACE1
SCHEMBL3144999 0.81 DRD2 (0.66) DRD2DRD4DRD3ACHESLC6A4
SCHEMBL8037815 0.81 DRD2 (0.52) KMT2ASIGMAR1DRD2DRD4DRD3
SCHEMBL7798205 0.81 DRD2 (0.52) KMT2ADRD2DRD4DRD3ACHE
SCHEMBL980377 0.81 SCD (0.53) KMT2AMEN1DRD2SLC6A4HTR2A
SCHEMBL8031659 0.81 DRD2 (0.47) KMT2AMEN1DRD2DRD4DRD3

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 KMT2A 1128/4885MEN1 424/4885SIGMAR1 1200/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 KMT2A 1347/4885MEN1 574/4885SIGMAR1 523/4885

“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.