SCHEMBL1807264

SCHEMBL1807264

O=C(O)N1C[C@H]2CCNc3c(-c4ccc(F)cc4)cccc3[C@@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HSD11B1 P28845 1/20 0.34
RIPK1 Q13546 2/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
PARP1 P09874 1/20 0.33
MLNR O43193 3/20 0.33
CYP3A4 P08684 2/20 0.33
BTK Q06187 1/20 0.33
PAX8 Q06710 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
DRD1 P21728 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL1807266 1.00 HCRTR1 (0.36) HCRTR1HCRTR2HDAC1HDAC2HSD11B1
SCHEMBL1807263 1.00 HCRTR1 (0.36) HCRTR1HCRTR2HDAC1HDAC2HSD11B1
SCHEMBL1807004 0.79 HSD11B1 (0.35) HCRTR1HCRTR2HSD11B1
SCHEMBL1807006 0.79 HSD11B1 (0.35) HCRTR1HCRTR2HSD11B1
SCHEMBL1806296 0.79 F12 (0.39) HSD11B1RAB9A
SCHEMBL1807008 0.79 HSD11B1 (0.35) HCRTR1HCRTR2HSD11B1
SCHEMBL1806294 0.79 F12 (0.39) HSD11B1RAB9A
SCHEMBL1806293 0.79 F12 (0.39) HSD11B1RAB9A
SCHEMBL2599049 0.78 HTR2B (0.36) HCRTR1HCRTR2HSD11B1RIPK1NPC1
SCHEMBL1805586 0.78 HTR2B (0.36) HCRTR1HCRTR2HSD11B1RIPK1NPC1

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 3 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 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 HCRTR1 26/4885HCRTR2 27/4885HDAC1 1512/4885

“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.