SCHEMBL5871172

SCHEMBL5871172

COc1ccc2ccn(C3CCCN(CCc4ccc(F)cc4)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.52
SLC6A4 P31645 4/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HRH3 Q9Y5N1 2/20 0.47
HTR7 P34969 2/20 0.45
TACR2 P21452 2/20 0.45
TACR1 P25103 2/20 0.45
HRH1 P35367 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
MLNR O43193 1/20 0.45
CACNA1F O60840 1/20 0.45
EED O75530 1/20 0.45
USP2 O75604 1/20 0.45
ABCB11 O95342 1/20 0.45
EGFR P00533 1/20 0.45
LMNA P02545 1/20 0.45
HLA-A P04439 1/20 0.45
ERBB2 P04626 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL5871347 0.96 SLC6A4 (0.55) HTR1ASLC6A4MEN1KMT2AHRH3
SCHEMBL5871199 0.84 SCD (0.51) HTR1ASLC6A4HTR7DRD2SLC6A2
SCHEMBL5871482 0.83 HTR2A (0.48) HTR1ASLC6A4MEN1KMT2AHRH3
SCHEMBL5872358 0.83 HTR1A (0.43) HTR1ASLC6A4MEN1KMT2AHRH3
SCHEMBL5871484 0.82 SCD (0.45) HTR1ASLC6A4HTR7HTR2AHTR2C
SCHEMBL5871638 0.81 SCD (0.48) HTR1ASLC6A4HRH3HTR7DRD2
SCHEMBL5870974 0.80 HTR1A (0.44) HTR1ASLC6A4HTR7DRD2HTR2A
SCHEMBL5871150 0.80 SLC6A4 (0.44) HTR1ASLC6A4HTR7DRD2SLC6A2
SCHEMBL5871792 0.80 HTR1A (0.47) HTR1ASLC6A4HTR7DRD2HTR2A
SCHEMBL5871367 0.78 HTR1A (0.48) HTR1AMEN1KMT2AHTR7TACR2

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 6 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
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.