SCHEMBL5871502

SCHEMBL5871502

CC1(C)CN(C2CCN(CCc3ccc(F)cc3)CC2)c2cc(C=NO)ccc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.40
HTR2C P28335 3/20 0.40
HTR7 P34969 3/20 0.40
HTR6 P50406 2/20 0.40
HTR1A P08908 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
TMEM97 Q5BJF2 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
SCHEMBL5871499 1.00 HTR2A (0.40) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL5871217 0.87 HTR2A (0.42) HTR2AHTR2CHTR7HTR6
SCHEMBL5871388 0.83 HTR1A (0.42) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL5871221 0.83 HTR2A (0.41) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL5871712 0.82 HTR1A (0.44) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL5871718 0.82 HTR1A (0.44) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL6617673 0.81 HTR2A (0.45) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL6617670 0.81 HTR2A (0.45) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL5871742 0.80 HTR1A (0.44) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL5871650 0.80 HTR2A (0.45) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.