SCHEMBL19303256

SCHEMBL19303256

N[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.68
▸ CHRNB2 P17787 3/20 0.57
▸ CHRNA4 P43681 3/20 0.57
▸ CHRNB4 P30926 2/20 0.57
▸ CHRNA3 P32297 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAP4K4 O95819 2/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ KCNH2 Q12809 3/20 0.40
▸ DOT1L Q8TEK3 1/20 0.40
▸ PBK Q96KB5 1/20 0.39

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
SCHEMBL29744352 1.00 MAPT (0.68) MAPTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29744389 1.00 MAPT (0.68) MAPTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23497899 1.00 MAPT (0.68) MAPTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23498290 1.00 MAPT (0.68) MAPTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25374924 0.92 CHRNB2 (0.63) MAPTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25372739 0.92 CHRNB2 (0.63) MAPTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16888506 0.84 MAPT (0.73) MAPTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17054802 0.84 MAPT (0.68) MAPTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3539759 0.82 MAPT (0.90) MAPTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29435521 0.82 MAPT (0.97) MAPTCHRNB2CHRNA4CHRNB4CHRNA3

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-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 — — 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-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885CHRNB2 3189/4885CHRNA4 4028/4885

“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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