SCHEMBL5871534

SCHEMBL5871534

Fc1ccc(C(F)CN2CCC(n3ccc4ccccc43)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
SLC6A4 P31645 2/20 0.50
OPRM1 P35372 3/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
HTR2A P28223 4/20 0.42
HTR7 P34969 3/20 0.42
SCD O00767 5/20 0.39
KCNH2 Q12809 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TYK2 P29597 1/20 0.31

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
SCHEMBL5871538 0.81 DRD2 (0.45) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5870957 0.74 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL28189418 0.72 DRD2 (0.65) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5871537 0.71 DRD2 (0.60) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL3139830 0.70 DRD2 (0.78) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL3141317 0.69 DRD2 (0.64) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL3150796 0.69 DRD2 (0.68) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL3141487 0.68 DRD2 (0.71) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4758506 0.68 DRD2 (0.59) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL7141854 0.68 DRD2 (0.74) DRD2SLC6A4OPRM1OPRD1OPRK1

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 11 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
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 DRD2 51/4885SLC6A4 25/4885OPRM1 471/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 DRD2 54/4885SLC6A4 114/4885OPRM1 340/4885

“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.