SCHEMBL5871405

SCHEMBL5871405

CC1CC(=C2CCN(CCc3ccc(F)cc3)CC2)c2nccnc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.38
HTR2C P28335 2/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 1/20 0.38
KCNH2 Q12809 2/20 0.38
KCNJ1 P48048 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
MAOA P21397 1/20 0.37
CYP2C9 P11712 1/20 0.37
ABCB1 P08183 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
OPRM1 P35372 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL5871342 0.74 HRH1 (0.46) HTR2AHTR2CHTR7KCNH2KCNJ1
SCHEMBL14708456 0.66 HRH3 (0.75) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL5871009 0.66 HTR2A (0.46) HTR2AHTR2CHTR7HTR6KCNH2
Ammonia Solution, Strong SCHEMBL27763801 0.65 HRH3 (0.73) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL3715278 0.65 KCNJ1 (0.58) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL1457115 0.65 MAOA (0.54) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL5745400 0.64 KCNJ1 (0.61) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL23377646 0.64 HRH3 (0.68) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL23377845 0.64 HRH3 (0.62) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL5872075 0.64 HTR2A (0.53) HTR2AHTR2CHTR7HTR6HTR1A

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-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 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
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 HTR2A 209/4885HTR2C 222/4885HTR7 71/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2A 143/4885HTR2C 107/4885HTR7 57/4885

“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.