SCHEMBL5522497

SCHEMBL5522497

CC#CC(C)Oc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2C

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.71
DRD2 P14416 1/20 0.49

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
SCHEMBL5524758 1.00 HTR4 (0.71) HTR4DRD2
SCHEMBL5522502 1.00 HTR4 (0.71) HTR4DRD2
SCHEMBL5529804 1.00 HTR4 (0.71) HTR4DRD2
SCHEMBL4883983 1.00 HTR4 (0.71) HTR4DRD2
SCHEMBL4892940 1.00 HTR4 (0.71) HTR4DRD2
Hydrochloric Acid SCHEMBL4887946 0.99 HTR4 (0.70) HTR4DRD2
Hydrochloric Acid SCHEMBL4895242 0.99 HTR4 (0.70) HTR4DRD2
SCHEMBL4890493 0.96 HTR4 (0.66) HTR4DRD2
SCHEMBL4890481 0.96 HTR4 (0.66) HTR4DRD2
Hydrochloric Acid SCHEMBL4895192 0.95 HTR4 (0.65) HTR4DRD2

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-20070155780-A1 Stabilized composition containing 4-amino-5-chloro-n-[(1r, 3r, 5s)-8-methyl-8-azabicyclo[3.2.1]oct-3-y1]-2-[1-methylbut-2-ynyloxy]benzamide EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-07-05 US claimed
EP-1736156-A1 STABILIZED 4-AMINO-5-CHLORO-N-¬(1R,3r,5S)-8-METHYL-8- AZABICYCLO¬3.2.1|OCT-3-YL|-2-¬1-METHYLBUT-2-YNYLOXY|-BENZAMIDE CONTAINING COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2006-12-27 EP claimed
US-20070155780-A1 Stabilized composition containing 4-amino-5-chloro-n-[(1r, 3r, 5s)-8-methyl-8-azabicyclo[3.2.1]oct-3-y1]-2-[1-methylbut-2-ynyloxy]benzamide EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-07-05 US disclosed
US-20070155780-A1 Stabilized composition containing 4-amino-5-chloro-n-[(1r, 3r, 5s)-8-methyl-8-azabicyclo[3.2.1]oct-3-y1]-2-[1-methylbut-2-ynyloxy]benzamide EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-07-05 US disclosed
EP-1736156-A1 STABILIZED 4-AMINO-5-CHLORO-N-¬(1R,3r,5S)-8-METHYL-8- AZABICYCLO¬3.2.1|OCT-3-YL|-2-¬1-METHYLBUT-2-YNYLOXY|-BENZAMIDE CONTAINING COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1736156-A1 STABILIZED 4-AMINO-5-CHLORO-N-¬(1R,3r,5S)-8-METHYL-8- AZABICYCLO¬3.2.1|OCT-3-YL|-2-¬1-METHYLBUT-2-YNYLOXY|-BENZAMIDE CONTAINING COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2006-12-27 EP disclosed
WO-2005099698-A1 STABILIZED 4-AMINO-5-CHLORO-N-[(1R,3r,5S)-8-METHYL-8- AZABICYCLO[3.2.1]OCT-3-YL]-2-[1-METHYLBUT-2-YNYLOXY]-BENZAMIDE CONTAINING COMPOSITION EISAI R & D MANAGEMENT CO., LTD. (JP) 2005-10-27 WO disclosed
WO-2005099698-A1 STABILIZED 4-AMINO-5-CHLORO-N-[(1R,3r,5S)-8-METHYL-8- AZABICYCLO[3.2.1]OCT-3-YL]-2-[1-METHYLBUT-2-YNYLOXY]-BENZAMIDE CONTAINING COMPOSITION EISAI R & D MANAGEMENT CO., LTD. (JP) 2005-10-27 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 (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-20070155780-A1 Stabilized composition containing 4-amino-5-chloro-n-[(1r, 3r, 5s)-8-methyl-8-azabicyclo[3.2.1]oct-3-y1]-2-[1-methylbut-2-ynyloxy]benzamide AZI2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A HTR4 278/4885DRD2 941/4885

“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.