SCHEMBL1802259

SCHEMBL1802259

Fc1ccc(-c2cccc3c2OCCC2CNCC32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.39
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR7 P34969 4/20 0.34
HTR1A P08908 3/20 0.34
HTR2B P41595 3/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
CYP11B2 P19099 2/20 0.32
ADRA2A P08913 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CTSK P43235 1/20 0.30
KCNH2 Q12809 1/20 0.30
HTR2A P28223 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30

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
SCHEMBL1802260 1.00 HTR2C (0.39) HTR2CMEN1NPC1RAB9AKMT2A
SCHEMBL1802258 1.00 HTR2C (0.39) HTR2CMEN1NPC1RAB9AKMT2A
SCHEMBL1802176 0.88 HTR2B (0.43) HTR2CHTR7HTR1AHTR2BTMEM97
SCHEMBL1802174 0.88 HTR2B (0.43) HTR2CHTR7HTR1AHTR2BTMEM97
SCHEMBL1802179 0.88 HTR2B (0.43) HTR2CHTR7HTR1AHTR2BTMEM97
SCHEMBL2598902 0.88 HTR2B (0.43) HTR2CHTR7HTR1AHTR2BTMEM97
SCHEMBL1805082 0.85 CDC7 (0.34) HTR2CHTR7HTR1AHTR2BTMEM97
SCHEMBL1805081 0.85 CDC7 (0.34) HTR2CHTR7HTR1AHTR2BTMEM97
SCHEMBL1805078 0.85 CDC7 (0.34) HTR2CHTR7HTR1AHTR2BTMEM97
SCHEMBL2598888 0.81 ADRA2A (0.47) HTR2CHTR2BADRA2ACHRNB2CHRNA4

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
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP claimed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US claimed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US claimed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US 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 (1 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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C HTR2C 4/4885MEN1 4095/4885NPC1 2724/4885

“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.