SCHEMBL4887897

SCHEMBL4887897

CC#C[C@H](C)Oc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCC2CCC1N2C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.51
HTR3A P46098 5/20 0.46
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
HTR5A P47898 1/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4887903 1.00 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL5426192 1.00 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL4887908 0.99 HTR4 (0.50) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL4887899 0.99 HTR4 (0.50) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL4896318 0.99 HTR4 (0.50) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL14256387 0.89 HTR4 (0.52) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL5524758 0.85 HTR4 (0.71) HTR4
SCHEMBL4892940 0.85 HTR4 (0.71) HTR4
SCHEMBL5522497 0.85 HTR4 (0.71) HTR4
SCHEMBL5529804 0.85 HTR4 (0.71) HTR4

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
US-20080070944-A1 Novel methods using aminobenzoic acid compounds EISAI CO., LTD. (JP) 2008-03-20 US disclosed
US-20070015789-A1 Novel methods using aminobenzoic acid compounds EISAI CO., LTD. (JP) 2007-01-18 US disclosed
WO-2005007600-A2 NOVEL METHODS USING AMINOBENZOIC ACID COMPOUNDS EISAI CO., LTD. (JP) 2005-01-27 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-20070015789-A1 Novel methods using aminobenzoic acid compounds GRIN2B, HTR5A, AADAT HTR4 133/4885HTR3A 141/4885HTR3E 136/4885
US-20080070944-A1 Novel methods using aminobenzoic acid compounds GRIN2B, HTR5A, AADAT HTR4 133/4885HTR3A 141/4885HTR3E 136/4885

“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.