SCHEMBL2600879

SCHEMBL2600879

O=C(c1n[nH]c2cc(Br)ccc12)N1C[C@@H]2C[C@H]1CN2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.45
▸ HRH4 Q9H3N8 2/20 0.40
▸ DYRK1A Q13627 4/20 0.39
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNB3 Q05901 1/20 0.39
▸ CHRNA6 Q15825 1/20 0.39
▸ PDPK1 O15530 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ RBP4 P02753 1/20 0.37
▸ ABL1 P00519 2/20 0.36
▸ BCR P11274 2/20 0.36
▸ EIF4A3 P38919 1/20 0.36
▸ AXL P30530 1/20 0.36

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
SCHEMBL5046315 1.00 IDO1 (0.45) IDO1HRH4DYRK1ACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL1176083 0.99 IDO1 (0.44) IDO1HRH4DYRK1ACHRNB2CHRNA4
SCHEMBL5043665 0.91 HRH4 (0.42) HRH4DYRK1ACHRNB2CHRNA4CHRNA3
SCHEMBL1385917 0.91 HRH4 (0.42) HRH4DYRK1ACHRNB2CHRNA4CHRNA3
Hydrochloric Acid SCHEMBL1176347 0.90 HRH4 (0.41) HRH4DYRK1ACHRNB2CHRNA4CHRNA3
SCHEMBL1176116 0.85 EIF4A3 (0.47) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL5039129 0.85 EIF4A3 (0.47) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL1175574 0.84 EIF4A3 (0.47) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL1177117 0.78 RBP4 (0.49) HRH4CHRNB2CHRNA4TLR9TLR8
SCHEMBL1176698 0.74 RBP4 (0.42) GSK3BRBP4

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-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 — — US claimed
EP-1697378-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2007-11-21 — — EP claimed
US-8158629-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-04-17 — — US disclosed
US-20110312989-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE (US) 2011-12-22 — — US disclosed
US-7964600-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-06-21 — — US disclosed
US-20110028483-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-02-03 — — US disclosed
US-7790722-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2010-09-07 — — US disclosed
US-20090088437-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-04-02 — — 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 (3 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-20110312989-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA1 IDO1 24/4885HRH4 594/4885DYRK1A 1504/4885
US-20110028483-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA1 IDO1 24/4885HRH4 594/4885DYRK1A 1504/4885
US-20090088437-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA1 IDO1 24/4885HRH4 594/4885DYRK1A 1504/4885

“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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