SCHEMBL2014034

SCHEMBL2014034

CN1CCN(c2ccc([N+](=O)[O-])cc2CNC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.53
▸ ALDH1A1 P00352 9/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ WDR5 P61964 6/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ SIRT6 Q8N6T7 1/20 0.48
▸ CYP2D6 P10635 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL15506819 0.81 HTT (0.55) HTTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL25329551 0.81 ALDH1A1 (0.55) HTTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1971542 0.81 ALDH1A1 (0.57) HTTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL2011449 0.80 LMNA (0.54) HTTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL30878962 0.79 HTT (0.45) HTTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL25328483 0.79 HTT (0.53) HTTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL2013678 0.78 MAPT (0.52) HTTALDH1A1SMN1; SMN2WDR5KMT2A
SCHEMBL1968454 0.78 ALDH1A1 (0.60) HTTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL26655887 0.77 ALDH1A1 (0.55) HTTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL30879407 0.77 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C19WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680095-B2 Heterocycle compounds and uses thereof for the prevention or treatment of diseases involving formation of amyloid plaques and/or where a dysfunction of the APP metabolism occurs INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-03-25 — — US disclosed
US-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS UNIVERSITE LILLE 1 - SCIENCES ET TECHNOLOGIES (FR) 2012-11-08 — — US disclosed
EP-2513062-A1 7-CHLORO-QUINOLIN-4-AMINE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS Institut National de la Santé et de la Recherche Médicale (FR) 2012-10-24 — — EP disclosed
WO-2011073322-A1 7-CHLORO-QUINOLIN-4-AMINE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-23 — — WO 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-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS APP, BACE1, PSEN1 HTT 30/4885ALDH1A1 1615/4885CYP1A2 330/4885

“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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