SCHEMBL5871014

SCHEMBL5871014

CC(=O)N1CCC(N(C)C(=O)Cc2ccc3ccn(C4CCN(CCc5ccccc5F)CC4)c3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.47
OPRM1 P35372 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR4 P51679 1/20 0.40

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
Oxalic Acid SCHEMBL5871682 0.98 CCR5 (0.47) CCR5OPRM1MEN1KMT2ACCR4
Oxalic Acid SCHEMBL5871140 0.90 CCR5 (0.49) CCR5OPRM1MEN1KMT2ACCR4
SCHEMBL5201272 0.88 OPRM1 (0.43) CCR5OPRM1MEN1KMT2ACCR4
SCHEMBL5871011 0.85 CCR3 (0.42) MEN1KMT2A
Oxalic Acid SCHEMBL5871679 0.84 CCR3 (0.41) MEN1KMT2A
SCHEMBL4081913 0.81 DRD2 (0.43) OPRM1
SCHEMBL5872021 0.81 CCR5 (0.49) CCR5OPRM1
SCHEMBL5871701 0.80 DRD2 (0.44) OPRM1
SCHEMBL4076926 0.80 HTR2A (0.44) OPRM1MEN1KMT2A
SCHEMBL5871734 0.79 SLC6A4 (0.46) OPRM1

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
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP claimed
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
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 CCR5 830/4885OPRM1 471/4885MEN1 424/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 CCR5 758/4885OPRM1 340/4885MEN1 574/4885

“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.