SCHEMBL2696438

SCHEMBL2696438

N#Cc1cc(Br)ccc1NCCN1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.42
▸ DRD3 P35462 1/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ACP1 P24666 1/20 0.38
▸ SMARCA2 P51531 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ ACHE P22303 1/20 0.37

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
SCHEMBL1858932 0.88 PIK3CD (0.51) PIK3CDPIK3CAMEN1KMT2AKDM4E
SCHEMBL10832465 0.78 DRD3 (0.54) DRD3MEN1NPC1KMT2AKDM4E
SCHEMBL4069514 0.78 SIGMAR1 (0.44) SIGMAR1DRD3MEN1NPC1KMT2A
SCHEMBL14304586 0.78 MEN1 (0.47) SIGMAR1DRD3MEN1NPC1KMT2A
SCHEMBL21616828 0.77 TSHR (0.50) SIGMAR1DRD3MEN1NPC1KMT2A
SCHEMBL5128357 0.75 SIGMAR1 (0.44) SIGMAR1DRD3MEN1NPC1KMT2A
SCHEMBL2326316 0.73 PKM (0.61) SIGMAR1KDM4EHRH3POLB
SCHEMBL21616826 0.73 BACE1 (0.59) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL15485828 0.72 RECQL (0.36) KDM4EHPGDHSD17B10GAA
SCHEMBL2319042 0.72 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1POLB

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
CN-104710420-B Azabicyclic formula compound or its salt, containing its medicine, compositions and application 大鹏药品工业株式会社 2016-07-27 — — CN disclosed
US-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 — — US disclosed
EP-2452940-B1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2014-12-17 — — EP disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 — — US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 — — US disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 — — EP disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 — — US 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-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 SIGMAR1 810/4885DRD3 2916/4885PIK3CD 1850/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 SIGMAR1 810/4885DRD3 2916/4885PIK3CD 1850/4885

“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.

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