SCHEMBL4093054

SCHEMBL4093054

O=C1CCCCN1CCc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.51
ACHE P22303 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR2C P28335 1/20 0.46
DAO P14920 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
PER2 O15055 1/20 0.45
CRY2 Q49AN0 1/20 0.45
GAA P10253 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
SCHEMBL917005 0.85 L3MBTL1 (0.68) MCHR1ACHEL3MBTL1SMN1; SMN2RAB9A
SCHEMBL5872163 0.83 L3MBTL1 (0.71) MCHR1ACHEL3MBTL1SMN1; SMN2RAB9A
SCHEMBL4501555 0.83 L3MBTL1 (0.70) ACHEL3MBTL1RAB9AALDH1A1MAPT
SCHEMBL8899205 0.82 HRH3 (0.57) MCHR1ACHEL3MBTL1SMN1; SMN2RAB9A
SCHEMBL11323025 0.82 L3MBTL1 (0.51) MCHR1ACHEL3MBTL1SMN1; SMN2RAB9A
SCHEMBL3140840 0.80 KMT2A (0.53) ACHEL3MBTL1SMN1; SMN2RAB9AMAPT
SCHEMBL4893979 0.80 KMT2A (0.49) MCHR1ACHEL3MBTL1SMN1; SMN2RAB9A
SCHEMBL13946703 0.80 HRH3 (0.54) L3MBTL1ADRA1AADRA1BSMN1; SMN2RAB9A
SCHEMBL15242991 0.80 L3MBTL1 (0.45) MCHR1ACHEL3MBTL1ADRA1AADRA1B
SCHEMBL10159085 0.80 MAPT (0.49) ACHEL3MBTL1ADRA1AADRA1BRAB9A

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-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP disclosed
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 (3 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 MCHR1 325/4885ACHE 459/4885L3MBTL1 690/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 MCHR1 588/4885ACHE 182/4885L3MBTL1 876/4885
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 MCHR1 1821/4885ACHE 2838/4885L3MBTL1 4121/4885

“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.