SCHEMBL255932

SCHEMBL255932

COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.59
HTR3E A5X5Y0 2/20 0.59
HTR3B O95264 2/20 0.59
HTR3D Q70Z44 2/20 0.59
HTR3C Q8WXA8 2/20 0.59
HTR5A P47898 1/20 0.59
MEN1 O00255 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.58
MAPK1 P28482 1/20 0.57
HTR4 Q13639 7/20 0.56
KCNH2 Q12809 2/20 0.56
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55

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
SCHEMBL15063215 1.00 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL165828 1.00 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL15854567 1.00 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL257186 1.00 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL15063225 1.00 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL25557719 0.89 HTR4 (0.68) HTR4KCNH2
SCHEMBL534970 0.85 HTR4 (0.68) HTR3ACYP2D6CYP2C9HTR4KCNH2
SCHEMBL7389242 0.79 HTR4 (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2601854 0.79 HTR4 (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7392108 0.78 HTR4 (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139523-B2 5-HT2B receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2015-09-22 US disclosed
EP-2619180-B1 5-HT2B RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2014-10-08 EP disclosed
US-20140187585-A1 5-HT2B RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2014-07-03 US disclosed
US-8703958-B2 5-HT2B receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2014-04-22 US disclosed
US-8703958-B2 5-HT2B receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2014-04-22 US disclosed
US-20130172386-A1 5-HT2B RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2013-07-04 US disclosed
US-20130172386-A1 5-HT2B RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2013-07-04 US disclosed
WO-2012028614-A1 5-HT2B RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-03-08 WO 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-20130172386-A1 5-HT2B RECEPTOR ANTAGONISTS HTR2B, HTR1B, HTR3B HTR3A 10/4885HTR3E 12/4885HTR3B 3/4885
US-20140187585-A1 5-HT2B RECEPTOR ANTAGONISTS HTR2B, HTR1B, HTR3B HTR3A 10/4885HTR3E 12/4885HTR3B 3/4885

“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.