SCHEMBL13150837

SCHEMBL13150837

O=C(CN1CCN(CCOc2ccccc2)CC1)Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 11/20 0.65
▸ TDP1 Q9NUW8 1/20 0.58
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ LTA4H P09960 2/20 0.55
▸ PKM P14618 1/20 0.54
▸ DRD2 P14416 1/20 0.54
▸ DRD3 P35462 1/20 0.54

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
SCHEMBL13150715 0.85 KCNA5 (0.48) KCNA5TDP1MEN1KMT2AALDH1A1
SCHEMBL22266185 0.84 KCNA5 (0.67) KCNA5TDP1MEN1KMT2AALDH1A1
SCHEMBL21590285 0.83 GAA (0.57) TDP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13150840 0.82 MEN1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2DRD2
Hydrochloric Acid SCHEMBL28283970 0.80 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL21490455 0.80 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL13150724 0.79 THRB (0.53) ALDH1A1KDM4EDRD2
Hydrochloric Acid SCHEMBL28820059 0.78 ALDH1A1 (0.56) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5175616 0.78 LTA4H (0.68) ALDH1A1KDM4ESMN1; SMN2LTA4H
Bromide SCHEMBL15967768 0.78 EGFR (0.45) KCNA5MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 — — US disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 — — US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 — — US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 — — US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 — — US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 — — US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 — — US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 — — US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 — — US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 — — 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-20070004750-A1 N-substituted piperazines PRXL2A, CNPY2, CYP4X1 KCNA5 53/4885TDP1 3911/4885MEN1 3085/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 KCNA5 53/4885TDP1 3911/4885MEN1 3085/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 KCNA5 53/4885TDP1 3911/4885MEN1 3085/4885

“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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