SCHEMBL5871560

SCHEMBL5871560

c1nc2cc3c(cc2s1)CCN3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.37
DRD4 P21917 1/20 0.37
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RIPK1 Q13546 1/20 0.32
DYRK1A Q13627 3/20 0.32
DYRK2 Q92630 2/20 0.31
DYRK1B Q9Y463 2/20 0.31
PIK3CD O00329 1/20 0.31
PRKCB P05771 1/20 0.31
CSNK2A2 P19784 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL13154646 0.74 DRD2 (0.44) DRD2DRD4ALDH1A1MAPTAR
SCHEMBL6648826 0.72 ALDH1A1 (0.39) DRD2ALDH1A1HSD17B10KDM4ENPC1
SCHEMBL10336932 0.72 ALDH1A1 (0.39) DRD2ALDH1A1MAPTHSD17B10KDM4E
Indoline SCHEMBL7443523 0.71 HSD17B10 (0.58) DRD2DRD4ALDH1A1HSD17B10NPC1
SCHEMBL18873564 0.70 ALDH1A1 (0.34) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL21091238 0.70 DRD2 (0.67) DRD2DRD4ALDH1A1
SCHEMBL4496862 0.70 DRD2 (0.56) DRD2DRD4ALDH1A1MAPTKDM4E
SCHEMBL4296143 0.70 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL31096868 0.69 ALDH1A1 (0.41) ALDH1A1MAPTHSD17B10KDM4EDYRK1A
SCHEMBL4560336 0.68 ALDH1A1 (0.50) ALDH1A1MAPTHSD17B10KDM4ENPC1

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 51/4885DRD4 64/4885ALDH1A1 3599/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 DRD2 54/4885DRD4 66/4885ALDH1A1 3941/4885

“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.