SCHEMBL5871346

SCHEMBL5871346

COc1cccc(NC2CCN(C(C)=O)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.50
PTPN1 P18031 1/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
GFER P55789 1/20 0.49
THRB P10828 1/20 0.49
MGLL Q99685 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CCR3 P51677 2/20 0.48

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
SCHEMBL4116095 0.84 ALDH1A1 (0.74) MAPTHTTNPC1RAB9AALDH1A1
SCHEMBL25386374 0.83 PRMT5 (0.54) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL15829967 0.82 EPHX2 (0.54) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL22126861 0.82 PABPC1 (0.52) HTTNPC1RAB9AALDH1A1LMNA
SCHEMBL29724427 0.81 ALDH1A1 (0.54) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL1298275 0.81 ALDH1A1 (0.54) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL8480137 0.81 GFER (0.65) NPC1RAB9AALDH1A1TSHRGFER
SCHEMBL29501397 0.80 PRMT5 (0.56) MAPTLMNAPTPN1KDM4E
SCHEMBL29501396 0.80 PRMT5 (0.56) MAPTLMNAPTPN1KDM4E
SCHEMBL23684061 0.80 PRMT5 (0.56) MAPTLMNAPTPN1KDM4E

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 MAPT 2798/4885HTT 2192/4885NPC1 4695/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 MAPT 3650/4885HTT 3323/4885NPC1 4599/4885

“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.