SCHEMBL8280423

SCHEMBL8280423

CCCN(C)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SLC2A1 P11166 1/20 0.46
AOC3 Q16853 3/20 0.44
ALDH1A1 P00352 1/20 0.44
APP P05067 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
NR1I2 O75469 1/20 0.41
EGFR P00533 1/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL14149521 0.88 MAPT (0.53) RPS6KA2CA12CA1CA2CA7
SCHEMBL13261439 0.86 MAPT (0.47) RPS6KA2CA12CA1CA2CA7
SCHEMBL20746927 0.85 CNR2 (0.47) RPS6KA2CA12CA1CA2CA7
SCHEMBL14447064 0.85 CNR2 (0.47) RPS6KA2CA12CA1CA2CA7
SCHEMBL10787032 0.85 CNR2 (0.47) RPS6KA2CA12CA1CA2CA7
SCHEMBL10786365 0.85 CNR2 (0.47) RPS6KA2CA12CA1CA2CA7
SCHEMBL4745147 0.83 CA1 (0.50) RPS6KA2CA12CA1CA2CA7
SCHEMBL11240307 0.82 MAPT (0.44) RPS6KA2CA12CA1CA2CA7
SCHEMBL6868406 0.82 RPS6KA2 (0.45) RPS6KA2CA12CA1CA2CA7
SCHEMBL22542360 0.82 TAAR1 (0.48) RPS6KA2CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114456228-B Substituted glycine-3, 5-difluorophenylalanine peptide derivative and preparation method and application thereof 山东大学 2023-09-12 CN disclosed
CN-114456228-A Substituted glycine-3, 5-difluorophenylalanine peptide derivative and preparation method and application thereof 山东大学 2022-05-10 CN disclosed
EP-3193604-B1 SUBSTITUTED N-(PYRROLIDIN-3-YL)ISOXAZOLE-3-CARBOXAMIDE COMPOUNDS EPIZYME INC (US) 2021-06-16 EP disclosed
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed
US-20080090891-A1 ION CHANNEL MODULATORS WYETH (US) 2008-04-17 US disclosed
US-20070298348-A1 Silver Halide Color Photographic Light-Sensitive Material and Image Forming Method FUJIFILM CORPORATION (JP) 2007-12-27 US disclosed
US-20070238727-A1 5-Substituted 1-Phenyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones and Analogs as Anti-Virals TIBOTEC BVBA (BE) 2007-10-11 US disclosed
US-20070238727-A1 5-Substituted 1-Phenyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones and Analogs as Anti-Virals TIBOTEC BVBA (BE) 2007-10-11 US disclosed
US-20070208064-A1 Ion channel modulators WYETH (US) 2007-09-06 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
US-7189501-B2 Silver halide color photographic photosensitive material FUJI PHOTO FILM CO., LTD. (JP) 2007-03-13 US disclosed
WO-2005087228-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005087750-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 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 (4 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-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders CACNA1C, CACNA1D, CACNA1G RPS6KA2 4446/4885CA12 895/4885CA1 126/4885
US-20070238727-A1 5-Substituted 1-Phenyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones and Analogs as Anti-Virals NR5A2, NR5A1, NR4A1 RPS6KA2 3192/4885CA12 4274/4885CA1 3397/4885
US-20070208064-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 RPS6KA2 1330/4885CA12 2897/4885CA1 869/4885
US-20080090891-A1 ION CHANNEL MODULATORS CACNA1B, CACNA1C, TRPV1 RPS6KA2 1330/4885CA12 2897/4885CA1 869/4885

“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.