SCHEMBL5871155

SCHEMBL5871155

O=C(NCc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.50
ERCC4 Q92889 1/20 0.50
CACNA1G O43497 4/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR7 P34969 2/20 0.49
HTR6 P50406 2/20 0.49
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR1F P30939 1/20 0.48
ALDH1A1 P00352 2/20 0.45
TSHR P16473 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
SCHEMBL5871188 0.90 HTR1A (0.49) CACNA1GHTR2AHTR2CHTR7HTR6
SCHEMBL5870987 0.90 HTR1A (0.48) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL5871353 0.90 HTR1A (0.51) CACNA1GHTR2AHTR2CHTR7HTR6
SCHEMBL5871264 0.87 HTR1A (0.48) CACNA1GHTR2AHTR2CHTR7HTR6
SCHEMBL5871163 0.86 HTR1A (0.48) CACNA1GHTR2AHTR2CHTR7HTR6
SCHEMBL5871213 0.84 HTR1A (0.48) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL5871355 0.84 HTR1A (0.49) CACNA1GHTR2AHTR2CHTR7HTR6
SCHEMBL5871577 0.83 HTR1A (0.48) CACNA1GHTR2AHTR2CHTR7HTR6
SCHEMBL5870947 0.83 HTR1A (0.49) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL5871739 0.83 HTR1A (0.50) CACNA1GHTR2AHTR2CHTR7HTR6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US claimed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US claimed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP claimed
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 ERCC1 4592/4885ERCC4 4788/4885CACNA1G 163/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 ERCC1 4138/4885ERCC4 4488/4885CACNA1G 118/4885

“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.