SCHEMBL5871500

SCHEMBL5871500

COc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)C1)CC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.51
SLC6A4 P31645 3/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ABCB1 P08183 1/20 0.45
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
EED O75530 1/20 0.43
SCD O00767 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1F P30939 1/20 0.42

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
SCHEMBL4073208 0.94 HTR1A (0.55) HTR1ASLC6A4MEN1KMT2AABCB1
SCHEMBL5871294 0.90 HTR1A (0.52) HTR1ASLC6A4MEN1KMT2AABCB1
SCHEMBL5871766 0.88 HTR1A (0.53) HTR1ASLC6A4MEN1KMT2AHTR2C
SCHEMBL5871231 0.88 HTR1A (0.50) HTR1ASLC6A4SCDSIGMAR1
SCHEMBL5871015 0.87 SIGMAR1 (0.55) HTR1ASLC6A4ABCB1HTR2CHTR2B
Hydrochloric Acid SCHEMBL5871695 0.87 HTR1A (0.52) HTR1ASLC6A4MEN1KMT2AHTR2C
SCHEMBL5870975 0.85 HTR1A (0.55) HTR1ASLC6A4MEN1KMT2AABCB1
SCHEMBL5871190 0.81 SCD (0.52) HTR1AHTR2CHTR2BSCDHTR1D
SCHEMBL5871086 0.81 HTR1A (0.46) HTR1ASLC6A4HTR2CHTR2BSCD
SCHEMBL5871331 0.81 HTR1A (0.44) HTR1ASLC6A4ABCB1HTR2CSCD

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 9 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
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 HTR1A 17/4885SLC6A4 25/4885MEN1 424/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR1A 14/4885SLC6A4 114/4885MEN1 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.