SCHEMBL14035659

SCHEMBL14035659

CCC(=O)N1CCCC(c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.61
▸ POLB P06746 1/20 0.61
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ DRD2 P14416 1/20 0.57
▸ DRD1 P21728 1/20 0.57
▸ DRD4 P21917 1/20 0.57
▸ DRD5 P21918 1/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ LMNA P02545 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ RAB9A P51151 1/20 0.54
▸ HSD11B1 P28845 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51

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
SCHEMBL12447962 0.92 ALDH1A1 (0.71) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL12447346 0.92 ALDH1A1 (0.71) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL15307435 0.88 DRD2 (0.58) ALDH1A1POLBDRD2DRD1DRD4
SCHEMBL25951461 0.88 DRD2 (0.58) ALDH1A1POLBDRD2DRD1DRD4
SCHEMBL7312670 0.85 KMO (0.58) ALDH1A1POLBMEN1KMT2ADRD2
SCHEMBL6299758 0.85 ALDH1A1 (0.61) ALDH1A1POLBDRD2DRD1DRD4
SCHEMBL16144645 0.84 HSD11B1 (0.50) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL25653340 0.83 ALDH1A1 (0.56) ALDH1A1POLBDRD2DRD1DRD4
SCHEMBL13005883 0.83 ALDH1A1 (0.56) ALDH1A1POLBDRD2DRD1DRD4
SCHEMBL4034093 0.83 ALDH1A1 (0.57) ALDH1A1POLBMEN1KMT2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248740-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer NATIONAL CANCER CENTER (KR) 2023-08-10 — — US disclosed
US-20230181596-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer SAMSUNG LIFE PUBLIC WELFARE FOUNDATION (KR) 2023-06-15 — — US disclosed
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2019-04-02 — — US disclosed
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 — — US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — 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 (5 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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP ALDH1A1 1466/4885POLB 3040/4885MEN1 3622/4885
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use BACE1, BACE2, APP ALDH1A1 1466/4885POLB 3040/4885MEN1 3622/4885
US-20230248740-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer LRRK2, FABP7, PARK7 ALDH1A1 3803/4885POLB 2553/4885MEN1 1639/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 ALDH1A1 4225/4885POLB 1045/4885MEN1 3348/4885
US-20230181596-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer LRRK2, FABP7, PARK7 ALDH1A1 3803/4885POLB 2553/4885MEN1 1639/4885

“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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