SCHEMBL17796754

SCHEMBL17796754

CN(c1ccc([N+](=O)[O-])nc1)C1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 5/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ LMNA P02545 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHRNB2 P17787 3/20 0.35
▸ CHRNA4 P43681 3/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL17119670 0.83 KMT2A (0.43) POLBMAPTRAB9ALMNAHTT
SCHEMBL17796408 0.76 OPRM1 (0.37) LMNASMN1; SMN2KDM4CPDE1BOPRM1
SCHEMBL1099100 0.74 RAB9A (0.45) POLBMAPTRAB9ALMNANPC1
SCHEMBL14241708 0.73 JAK2 (0.49) POLBMAPTRAB9ALMNANPC1
SCHEMBL6876218 0.71 KMT2A (0.46) POLBMAPTRAB9ALMNANPC1
SCHEMBL17055030 0.69 MAPT (0.40) POLBMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL24632517 0.69 ELOVL1 (0.38) POLBRAB9ALMNANPC1SMN1; SMN2
SCHEMBL4037861 0.68 CYP3A4 (0.39) KDM4COPRM1OPRL1ALDH1A1IDH1
SCHEMBL12082444 0.68 ALDH1A1 (0.41) MAPTRAB9ANPC1KDM4CALDH1A1
SCHEMBL10265072 0.67 MAPT (0.42) POLBMAPTRAB9ANPC1CHRNB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 — — US disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 — — 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 (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-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA POLB 3483/4885MAPT 277/4885RAB9A 2304/4885

“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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