SCHEMBL4890682

SCHEMBL4890682

CC#C[C@H](C)Oc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2CCCC1C2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.73
HTR3E A5X5Y0 4/20 0.73
HTR3B O95264 4/20 0.73
HTR3D Q70Z44 4/20 0.73
HTR3C Q8WXA8 4/20 0.73
NPSR1 Q6W5P4 1/20 0.73
HTR5A P47898 1/20 0.56
MEN1 O00255 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPK1 P28482 1/20 0.54
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL4893397 1.00 HTR3A (0.73) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4895811 1.00 HTR3A (0.73) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4893391 1.00 HTR3A (0.73) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL14256388 1.00 HTR3A (0.73) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4885256 1.00 HTR3A (0.73) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4895803 1.00 HTR3A (0.73) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4885263 1.00 HTR3A (0.73) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL4888455 0.99 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL4888464 0.99 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL4894688 0.99 HTR3A (0.71) 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 6 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
EP-0645391-B1 Benzamide derivatives EISAI CO LTD (JP) 2001-11-21 EP disclosed
US-5658925-A EXHIBITS SEROTONIN ANTAGONISM AND AN ACETYLCHOLINE RELEASE ACCELERATING ACTIVITY EISAI CO., LTD. (JP) 1997-08-19 US disclosed
EP-0645391-A2 Aminobenzoic acid derivatives Eisai Co., Ltd. (JP) 1995-03-29 EP 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 HTR3A 141/4885HTR3E 136/4885HTR3B 110/4885
US-20080070944-A1 Novel methods using aminobenzoic acid compounds GRIN2B, HTR5A, AADAT HTR3A 141/4885HTR3E 136/4885HTR3B 110/4885

“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.