SCHEMBL20150158

SCHEMBL20150158

O=[N+]([O-])c1ccc(N2CCC3(CCOCC3)CC2)cn1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.75
MAPT P10636 8/20 0.62
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.39
AKR1C3 P42330 2/20 0.39
MITF O75030 1/20 0.38
CRBN Q96SW2 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL18053948 0.90 MAPT (0.70) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL18053871 0.88 POLB (0.68) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL521371 0.86 POLB (1.00) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL29437404 0.86 POLB (1.00) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL23132947 0.84 POLB (0.74) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL18053939 0.83 POLB (0.68) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL18058676 0.83 POLB (0.68) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL31607933 0.83 POLB (0.68) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL26705462 0.83 MAPT (0.63) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL23109102 0.83 POLB (0.72) POLBMAPTRAB9ASMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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 (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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 POLB 1657/4885MAPT 1236/4885RAB9A 3462/4885

“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.