SCHEMBL166820

SCHEMBL166820

COc1cc(N)c(Cl)cc1C(=O)NC1CCNCC1F

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 7/20 0.77
HTR3A P46098 5/20 0.77
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
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 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
SCHEMBL9721653 0.88 HTR4 (0.79) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL9759843 0.88 HTR4 (0.79) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL9721666 0.88 HTR4 (0.79) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL9721646 0.88 HTR4 (0.79) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL9759849 0.88 HTR4 (0.79) HTR4HTR3AHTR3EHTR3BHTR3D
Norcisapride SCHEMBL734363 0.87 HTR4 (1.00) HTR4HTR3AHTR3EHTR3BHTR3D
Ticalopride SCHEMBL17208 0.87 HTR4 (1.00) HTR4HTR3AHTR3EHTR3BHTR3D
Norcisapride SCHEMBL8245159 0.87 HTR4 (1.00) HTR4HTR3AHTR3EHTR3BHTR3D
Norcisapride SCHEMBL3317329 0.87 HTR4 (1.00) HTR4HTR3AHTR3EHTR3BHTR3D
Norcisapride SCHEMBL3319911 0.87 HTR4 (1.00) HTR4HTR3AHTR3EHTR3BHTR3D

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 7 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
EP-2619180-A1 5-HT2B RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2013-07-31 EP 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 HTR4 9/4885HTR3A 10/4885HTR3E 12/4885
US-20140187585-A1 5-HT2B RECEPTOR ANTAGONISTS HTR2B, HTR1B, HTR3B HTR4 9/4885HTR3A 10/4885HTR3E 12/4885

“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.