SCHEMBL5871063

SCHEMBL5871063

CC(=O)N1CCc2ccc(CCl)cc21

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.66
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 3/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
HSD17B3 P37058 1/20 0.46
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL9088878 0.88 NOTUM (0.66) NOTUMALDH1A1LMNAMAPTKDM4E
SCHEMBL10289633 0.86 NOTUM (0.63) NOTUMALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL20625610 0.82 NOTUM (0.58) NOTUMALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL5795715 0.80 NOTUM (1.00) NOTUMALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL5793078 0.80 NOTUM (1.00) NOTUMALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL8615275 0.78 NOTUM (0.53) NOTUMALDH1A1SMN1; SMN2LMNA
SCHEMBL8655991 0.78 NOTUM (0.53) NOTUMALDH1A1SMN1; SMN2LMNA
SCHEMBL1950239 0.78 NOTUM (0.64) NOTUMLMNAPKMKMT2ADRD2
SCHEMBL8141492 0.78 NOTUM (0.69) NOTUMALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL429841 0.78 NOTUM (0.76) NOTUMALDH1A1SMN1; SMN2LMNAKMT2A

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 NOTUM 3123/4885ALDH1A1 3599/4885SMN1; SMN2 39/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 NOTUM 2754/4885ALDH1A1 3941/4885SMN1; 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.